WorldWideScience

Sample records for alpha-u charge density

  1. Charge density waves in solids

    CERN Document Server

    Gor'kov, LP

    2012-01-01

    The latest addition to this series covers a field which is commonly referred to as charge density wave dynamics.The most thoroughly investigated materials are inorganic linear chain compounds with highly anisotropic electronic properties. The volume opens with an examination of their structural properties and the essential features which allow charge density waves to develop.The behaviour of the charge density waves, where interesting phenomena are observed, is treated both from a theoretical and an experimental standpoint. The role of impurities in statics and dynamics is considered and an

  2. Modern charge-density analysis

    CERN Document Server

    Gatti, Carlo

    2012-01-01

    Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.

  3. Periodic trends governing the interactions between impurity atoms [H-Ar] and (alpha)-U

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Christopher David [Los Alamos National Laboratory

    2008-01-01

    The binding energies, geometries, charges and electronic structures of a series of impurity atoms [H-Ar] interacting with the {alpha}-U lattice in various configurations were assessed by means of density functional theory calculations. Periodic trends governing the binding energy were highlighted and related to the electronic properties of the impurity atoms, with some consideration given to the band-structure of {alpha}-U. The strongest bound impurity atoms include [C, N, O] and [Si, P, S]. The general trends in the binding energy can be reproduced by a simple parameterisation in terms of the electronegativity (charge-transfer) and covalent radius (elasticity theory) of the impurity atom. The strongest bound atoms deviate from this model, due to their ability to bind with an optimum mixture of covalency and ionicity. This last point is evidenced by the partial overlap of the impurity atom p-band with the hybrid d-/f-band of {alpha}-U. It is expected that the trends and general behaviour reported in this work can be extended to the interactions of impurity atoms with other metallic systems.

  4. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    We introduce a hierarchy of density of states to characterize the charge distribution in a mesoscopic conductor. At the bottom of this hierarchy are the partial density of states which represent the contribution to the local density of states if both the incident and the out-going scattering channel is prescribed. The partial density ...

  5. DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

    African Journals Online (AJOL)

    a

    dissociation of these groups, result into a pH dependent surface charge whose density can be measured by acid-base titration. The surface charge density determined by such method is essentially measured relative to the unknown condition of the oxide/liquid interface prior to reagent addition (i.e. at the point of zero ...

  6. Theory to determine the critical charge density

    International Nuclear Information System (INIS)

    Vila, F.

    1997-08-01

    In this paper we theoretically determine the critical charge density in the system earthed metallic sphere-uniformly charged dielectric plane, in presence of earthed surfaces. This is a situation frequently encountered in industrial condition and has a great importance to evaluate the danger of the electrostatic discharges. (author)

  7. Exploring effective interactions through transition charge density ...

    Indian Academy of Sciences (India)

    Hartree–Fock–Bogoliubov; effective interactions; transition charge density. PACS Nos 21.60.-n; 21.10.-k; 23.20.-g; 27.50.+e. 1. Introduction ... Transition charge density study of 70,72,74,76Ge nuclei models like Hartree–Fock, ...... [31] P N Tripathi and S K Sharma, Phys. Rev. C34, 1081 (1986). [32] P K Rath and S K Sharma ...

  8. Central depression of nuclear charge density distribution

    International Nuclear Information System (INIS)

    Chu Yanyun; Ren Zhongzhou; Wang Zaijun; Dong Tiekuang

    2010-01-01

    The center-depressed nuclear charge distributions are investigated with the parametrized distribution and the relativistic mean-field theory, and their corresponding charge form factors are worked out with the phase shift analysis method. The central depression of nuclear charge distribution of 46 Ar and 44 S is supported by the relativistic mean-field calculation. According to the calculation, the valence protons in 46 Ar and 44 S prefer to occupy the 1d 3/2 state rather than the 2s 1/2 state, which is different from that in the less neutron-rich argon and sulfur isotopes. As a result, the central proton densities of 46 Ar and 44 S are highly depressed, and so are their central charge densities. The charge form factors of some argon and sulfur isotopes are presented, and the minima of the charge form factors shift upward and inward when the central nuclear charge distributions are more depressed. Besides, the effect of the central depression on the charge form factors is studied with a parametrized distribution, when the root-mean-square charge radii remain constant.

  9. Quantum crystallographic charge density of urea

    Directory of Open Access Journals (Sweden)

    Michael E. Wall

    2016-07-01

    Full Text Available Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  10. Transition density of charge-exchange processes

    International Nuclear Information System (INIS)

    Lovas, R.G.

    1983-01-01

    The transition density between parent and analogue states is studied with special reference to its role in charge-exchange nuclear reactions. The structure of the target nucleus is described in a perturbative approach, in which the Coulomb and asymmetry potentials mix the eigenstates of a charge-independent single-particle Hamiltonian. In this model formulae are derived for the transition density, the Coulomb displacement energy and the neutron-proton density difference, and their relationship is used to estimate the transition density. This estimate shows that: the largest contribution comes from the density of the excess neutrons; the weight of the Coulomb-mixing effect is small up to excess neutron number 10, and grows rapidly beyond; the weight of the core polarization term induced by the excess neutrons is modest and is the same for all nuclei. It is indicated that the Coulomb effect may explain the departure from the Lane model of nucleon charge-exchange scattering found for heavy nuclei, whereas the core polarization may account for the observed anomalous dependence of the deg 0 pion charge-exchange cross section on the number of excess neutrons. (author)

  11. Meaningful structural descriptors from charge density.

    Science.gov (United States)

    Stalke, Dietmar

    2011-08-16

    This paper provides a short introduction to the basics of electron density investigations. The two predominant approaches for the modelling and various interpretations of electron density distributions are presented. Their potential translations into chemical concepts are explained. The focus of the article lies on the deduction of chemical properties from charge density studies in some selected main group compounds. The relationship between the obtained numerical data and commonly accepted simple chemical concepts unfortunately is not always straightforward, and often the chemist relies on heuristic connections rather than rigorously defined ones. This article tries to demonstrate how charge density analyses can shed light on aspects of chemical bonding and reactivity resulting from the determined bonding situation. Sometimes this helps to identify misconceptions and sets the scene for new unconventional synthetic approaches. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Selective Coherent Excitation of Charged Density Waves

    NARCIS (Netherlands)

    Tsvetkov, A.A.; Sagar, D.M.; Loosdrecht, P.H.M. van; Marel, D. van der

    2003-01-01

    Real time femtosecond pump-probe spectroscopy is used to study collective and single particle excitations in the charge density wave state of the quasi-1D metal, blue bronze. Along with the previously observed collective amplitudon excitation, the spectra show several additional coherent features.

  13. Charge density glass from fictions to facts

    Energy Technology Data Exchange (ETDEWEB)

    Biljakovic, K. [Institute of Physics, Zagreb (Croatia)], E-mail: katica@ifs.hr; Staresinic, D.; Dominko, D. [Institute of Physics, Zagreb (Croatia); Lasjaunias, J.C. [Institut Neel, Grenoble (France)

    2009-03-01

    Thirty years ago Fukuyama [J. Phys. Soc. Jpn. 45 (1978) 1474] predicted a transition from charge density wave (CDW) state to the charge density glass (CDG) at a finite temperature as the consequence of the competition between the uniform commensurability pinning and the random impurity pinning. We present strong evidence that the CDG phase indeed exists as a generic feature of density wave systems. However, it arises from the competition of the random impurity pinning and the electrostatic intra-CDW interaction which tends to establish a uniform phase at low temperature. The glass transition occurs at the temperature at which the free carriers cannot efficiently screen the phase distortions. The characteristic length scale of the disorder, i.e. the size of the phase coherent domains, governs the glass properties.

  14. Charge density glass from fictions to facts

    International Nuclear Information System (INIS)

    Biljakovic, K.; Staresinic, D.; Dominko, D.; Lasjaunias, J.C.

    2009-01-01

    Thirty years ago Fukuyama [J. Phys. Soc. Jpn. 45 (1978) 1474] predicted a transition from charge density wave (CDW) state to the charge density glass (CDG) at a finite temperature as the consequence of the competition between the uniform commensurability pinning and the random impurity pinning. We present strong evidence that the CDG phase indeed exists as a generic feature of density wave systems. However, it arises from the competition of the random impurity pinning and the electrostatic intra-CDW interaction which tends to establish a uniform phase at low temperature. The glass transition occurs at the temperature at which the free carriers cannot efficiently screen the phase distortions. The characteristic length scale of the disorder, i.e. the size of the phase coherent domains, governs the glass properties

  15. Polarization Charge Density in Strained Graphene

    Science.gov (United States)

    Wilson, Noah

    Graphene, the world's first truly two-dimensional material, is unique for having an electronic structure described by an effective Lorentz invariant theory. One important consequence is that the ratio or Coulomb energy to kinetic energy is a constant, depending only on conditions within the lattice rather than on the average charge density as in a typical Galilean invariant material. Given this unusual property, a natural question would be how do phenomena, such as screening of a Coulomb impurity, happen in graphene? Moreover, how does the addition of uniaxial strain enhance or diminish this behavior? Here I discuss our work to calculate the charge density distribution in a lattice of strained graphene under the effect of an external Coulomb impurity. Graphene can have its band structure significantly altered by the application of uniaxial strain. Two cases are here explored: relatively weak strain at some finite chemical potential, and extreme strain with zero chemical potential. In the first system, the strain induces elliptic Dirac cones, engendering some inherent directionality to graphene's electronic properties that did not exist before. This anisotropy manifests itself in the polarization function, and so too in the screening charge density. A finite chemical potential in this case is necessary for any screening to take place in graphene since, without it, there are no electron states near the Fermi level to polarize. Both in the strained and unstrained case, decaying oscillations known as Friedel oscillations are observed. The result of strain is a multifaceted anisotropy of the charge distribution: the amplitude, frequency, and the position of the first peak in the oscillations are each varied depending on the direction one observes. In the second system, extreme strain in graphene leads to a merging of Dirac cones, yielding a transition to a new energy spectrum. This band structure is unusual in that it becomes quadratic along the direction of strain

  16. Accurate Charge Densities from Powder Diffraction

    DEFF Research Database (Denmark)

    Bindzus, Niels; Wahlberg, Nanna; Becker, Jacob

    Synchrotron powder X-ray diffraction has in recent years advanced to a level, where it has become realistic to probe extremely subtle electronic features. Compared to single-crystal diffraction, it may be superior for simple, high-symmetry crystals owing to negligible extinction effects and minimal...... peak overlap. Additionally, it offers the opportunity for collecting data on a single scale. For charge densities studies, the critical task is to recover accurate and bias-free structure factors from the diffraction pattern. This is the focal point of the present study, scrutinizing the performance...

  17. Charge density wave states in tantalum dichalcogenides

    Science.gov (United States)

    Miller, David C.; Mahanti, Subhendra D.; Duxbury, Phillip M.

    2018-01-01

    Using density functional theory, we explore a range of charge density wave states (CDWs) in tantalum-based transition-metal dichalcogenide monolayers. The high-symmetry states of the 1 H phases of Ta X2 (X = S, Se, Te) are lower in total energy compared to the 1 T variants, while the 1 T phases exhibit a much stronger tendency for CDW formation. The stability of several CDWs is found to be stronger as the chalcogenide is changed in the sequence (S, Se, Te), with the tellurium-based systems exhibiting several CDWs with binding energy per formula unit in the range of 100 meV . These 1 T CDW phases are lower in energy than the corresponding 1 H CDW phases. The diversity of CDWs exhibited by these materials suggests that many "hidden" states may occur on ultrafast excitation or photodoping. Changes in electronic structure across the Ta X2 series are also elucidated.

  18. Orthogonal bases of radial functions for charge density refinements

    International Nuclear Information System (INIS)

    Restori, R.

    1990-01-01

    Charge density determination from X-ray measurements necessitates the evaluation of the Fourier-Bessel transforms of the radial functions used to expand the charge density. Analytical expressions are given here for four sets of orthogonal functions which can substitute for the 'traditional exponential functions' set in least-squares refinements. (orig.)

  19. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    Interest in spin transport will require spin resolved partial density of states. In hybrid normal superconducting systems [51] a resolution of both electron and hole density of states is conceptually useful [52,53]. The description of electrical conduction processes in terms of transmission and reflection probabilities has become ...

  20. How good are Hartree-Fock charge densities

    International Nuclear Information System (INIS)

    Campi, X.

    1975-01-01

    The principle characteristics of Hartree-Fock charge densities (mean square radius, surface thickness, quantum fluctuation) calculated using different effective interactions are discussed in terms of their nuclear matter properties (Fermi momentum, effective mass, incompressibility). A comparison with the experimental charge distributions is made. Differences between the charge densities of neighbouring nuclei (isotope and isotone shifts) are also considered and the main factors governing these effects are discussed [fr

  1. Geometric interpretation of density displacements and charge ...

    Indian Academy of Sciences (India)

    Unknown

    ness kernel. It can be expressed using the functional chain-rule transformation in terms the closed system density response, and the extra term present in the open molecular systems, which involves the electro- nic FF and the system global softness.9 For this purpose we express the ground state density as functional of.

  2. Possibilities of increasing coal charge density by adding fuel oil

    Directory of Open Access Journals (Sweden)

    M. Fröhlichová

    2010-01-01

    Full Text Available The requirement of all coke-making facilities is to achieve the highest possible production of high quality coke from a chamber. It can be achieved by filling the effective capacity of the chamber with the highest possible amount of coal. One of the possibilities of meeting this requirement is to increase the charge density in the coke chamber. In case of a coke battery operating on bulk coal there are many methods to increase the charge density including the use of wetting agents in the charge. This article presents the results of the laboratory experiments aiming at the increase of the charge density using fuel oil as a wetting agent. The experiments were carried out by means of the Pitin’s device using 3 coal charges with various granularity composition and moisture content of 7, 8, 9 and 10 %.

  3. Geometric interpretation of density displacements and charge ...

    Indian Academy of Sciences (India)

    Unknown

    afresh from the density perspective. This conceptual DFT development has had a uni- fying influence on the reactivity theory. It combines the so-called electron following (EF) and electron preceding (EP) descriptions of both the closed and open molecular or reactive systems. In the former the nuclear displacements or the ...

  4. Effective Area and Charge Density of Iridium Oxide Neural Electrodes

    International Nuclear Information System (INIS)

    Harris, Alexander R.; Paolini, Antonio G.; Wallace, Gordon G.

    2017-01-01

    The effective electrode area and charge density of iridium metal and anodically activated iridium has been measured by optical and electrochemical techniques. The degree of electrode activation could be assessed by changes in electrode colour. The reduction charge, activation charge, number of activation pulses and charge density were all strongly correlated. Activated iridium showed slow electron transfer kinetics for reduction of a dissolved redox species. At fast voltammetric scan rates the linear diffusion electroactive area was unaffected by iridium activation. At slow voltammetric scan rates, the steady state diffusion electroactive area was reduced by iridium activation. The steady state current was consistent with a ring electrode geometry, with lateral resistance reducing the electrode area. Slow electron transfer on activated iridium would require a larger overpotential to reduce or oxidise dissolved species in tissue, limiting the electrodes charge capacity but also reducing the likelihood of generating toxic species in vivo.

  5. Experimental Evidence for Static Charge Density Waves in Iron Oxypnictides

    KAUST Repository

    Martinelli, A.

    2017-02-01

    In this Letter we report high-resolution synchrotron x-ray powder diffraction and transmission electron microscope analysis of Mn-substituted LaFeAsO samples, demonstrating that a static incommensurate modulated structure develops across the low-temperature orthorhombic phase, whose modulation wave vector depends on the Mn content. The incommensurate structural distortion is likely originating from a charge-density-wave instability, a periodic modulation of the density of conduction electrons associated with a modulation of the atomic positions. Our results add a new component in the physics of Fe-based superconductors, indicating that the density wave ordering is charge driven.

  6. Do plasma proteins distinguish between liposomes of varying charge density?

    KAUST Repository

    Capriotti, Anna Laura

    2012-03-01

    Cationic liposomes (CLs) are one of the most employed nonviral nanovector systems in gene therapy. However, their transfection efficiency is strongly affected by interactions with plasma components, that lead to the formation of a "protein corona" onto CL surface. The interactions between nanoparticles entering the body and biomolecules have an essential role for their biodistribution. Because the knowledge of proteins adsorbed onto vector surface could be useful in the screening of new, more efficient and more biocompatible liposomal formulations, the behavior of three CLs with different membrane charge densities was investigated. The proteins of the three coronas were identified by nano-liquid chromatography-tandem mass spectrometry, and quantified with label-free spectral counting strategy. Fibrinogen displayed higher association with CLs with high membrane charge density, while apolipoproteins and C4b-binding protein with CLs with low membrane charge density. These results are discussed in terms of the different lipid compositions of CLs and may have a deep biological impact for in vivo applications. Surface charge of nanoparticles is emerging as a relevant factor determining the corona composition after interaction with plasma proteins. Remarkably, it is also shown that the charge of the protein corona formed around CLs is strongly related to their membrane charge density. © 2012 Elsevier B.V.

  7. Improving the bulk density of coal charge in conventional cokemaking

    Energy Technology Data Exchange (ETDEWEB)

    Sandhu, H.S.; Prasad, H.N.; Krishnan, S.H.; Akthar, M.S.; Sinha, S. [Tata Steel, Jamshedpur (India)

    1999-04-01

    The throughput from a battery of coke ovens can be increased in two ways, namely by shortening the carbonization cycle or by increasing the coal charge per oven. The former can be achieved by increasing the coking rate which would result in deterioration in coke quality and shortening the battery life. The second alternative is, therefore, more attractive: it is based on an increase in the bulk density of the coal charge which allows more coal to be charged per oven. Although oil addition to the coal charge at Tata Steel has been practiced since 1962, the full benefits could accrue following optimisation of oil dosing with LDO in the laboratory with respect to bulk density, angle of repose and flowability properties, providing mixing facilities, and modifying the oil dosing system in the plant. 7 refs., 15 refs., 2 tabs.

  8. Electron charge densities at conduction-band edges of semiconductors

    International Nuclear Information System (INIS)

    Richardson, S.L.; Cohen, M.L.; Louie, S.G.; Chelikowsky, J.R.

    1986-01-01

    We demonstrate that both the empirical pseudopotential method (EPM) and the linear combination of atomiclike orbitals (LCAO) approach are capable of producing consistent electronic charge distributions in a compound semiconductor. Since the EPM approach is known to produce total valence electron charge densities which compare well with experimental x-ray data (e.g., Si), this work serves as a further test for the LCAO method. In particular, the EPM scheme, which uses an extended plane-wave basis, and the LCAO scheme, which employs a localized Gaussian basis, are used, with the same empirical potential as input, to analyze both the total valence electron charge density and the charge density of the first conduction band at the GAMMA, L, and X k points of the Brillouin zone. These charge densities are decomposed into their s-, p-, and d-orbital contributions, and this information is used to interpret the differences in the topologies of the conduction bands at GAMMA, L, and X. Such differences are crucial for a comprehensive understanding of interstitial impurities and the response of specific band states to perturbations in compound semiconductors

  9. Modeling the Electric Potential and Surface Charge Density Near Charged Thunderclouds

    Science.gov (United States)

    Neel, Matthew Stephen

    2018-03-01

    Thundercloud charge separation, or the process by which the bottom portion of a cloud gathers charge and the top portion of the cloud gathers the opposite charge, is still not thoroughly understood. Whatever the mechanism, though, a charge separation definitely exists and can lead to electrostatic discharge via cloud-to-cloud lightning and cloud-to-ground lightning. We wish to examine the latter form, in which upward leaders from Earth connect with downward leaders from the cloud to form a plasma channel and produce lightning. Much of the literature indicates that the lower part of a thundercloud becomes negatively charged while the upper part becomes positively charged via convective charging, although the opposite polarity can certainly exist along with various, complex intra-cloud currents. It is estimated that >90% of cloud-to-ground lightning is "negative lightning," or the flow of charges from the bottom of the cloud, while the remaining the flow of charges from the top of the cloud. We wish to understand the electric potential surrounding charged thunderclouds as well as the resulting charge density on the surface of Earth below them. In this paper we construct a simple and adaptable model that captures the very basic features of the cloud/ground system and that exhibits conditions favorable for both forms of lightning. In this way, we provide a practical application of electrostatic dipole physics as well as the method of images that can serve as a starting point for further modeling and analysis by students.

  10. Kaon transverse charge density from space- and timelike data

    Science.gov (United States)

    Mecholsky, N. A.; Meija-Ott, J.; Carmignotto, M.; Horn, T.; Miller, G. A.; Pegg, I. L.

    2017-12-01

    We used the world data on the kaon form factor to extract the transverse kaon charge density using a dispersion integral of the imaginary part of the kaon form factor in the timelike region. Our analysis includes recent data from e+e- annihiliation measurements extending the kinematic reach of the data into the region of high momentum transfers conjugate to the region of short transverse distances. To calculate the transverse density we created a superset of both timelike and spacelike data and developed an empirical parameterization of the kaon form factor. The spacelike set includes two new data points we extracted from existing cross section data. We estimate the uncertainty on the resulting transverse density to be 5% at b =0.025 fm and significantly better at large distances. New kaon data planned with the 12 GeV Jefferson Lab may have a significant impact on the charge density at distances of b <0.1 fm.

  11. Radial densities of nuclear matter and charge via moment methods

    International Nuclear Information System (INIS)

    Dalton, B.J.

    1980-01-01

    In this report I will discuss some initial efforts in our program to describe radial densities of nuclear matter and charge with the use of moment methods. A brief introduction to trace reduction formulas and computation problems along with proposed methods to overcome them will be given. This will be followed by a general discussion on computation of expectation values using moment methods with particular emphasis on formulation for the radial density applications

  12. Nuclear charge radii: density functional theory meets Bayesian neural networks

    Science.gov (United States)

    Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

    2016-11-01

    The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

  13. The interaction between theory and experiment in charge density analysis

    International Nuclear Information System (INIS)

    Coppens, Phillip

    2013-01-01

    The field of x-ray charge density analysis has gradually morphed into an area benefiting from the strong interactions between theoreticians and experimentalists, leading to new concepts on chemical bonding and of intermolecular interactions in condensed phases. Some highlights of the developments culminating in the 2013 Aminoff Award are described in this paper. (comment)

  14. Pressure induced Superconductivity in the Charge Density Wave Compound Tritelluride

    Energy Technology Data Exchange (ETDEWEB)

    Hamlin, J.J.; Zocco, D.A.; Sayles, T.A.; Maple, M.B.; /UC, Davis; Chu, J.-H.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2010-02-15

    A series of high-pressure electrical resistivity measurements on single crystals of TbTe{sub 3} reveal a complex phase diagram involving the interplay of superconducting, antiferromagnetic and charge density wave order. The onset of superconductivity reaches a maximum of almost 4 K (onset) near {approx} 12.4 GPa.

  15. Gate effect in charge-density wave nanowires

    NARCIS (Netherlands)

    Slot, E.; Holst, M.A.; Van der Zant, H.S.J.

    2005-01-01

    We have investigated transport characteristics of charge-density wave nanowires with a few hundred parallel chains. At temperatures below50K, these samples show power-law behavior in temperature and voltage, characteristic for one-dimensional transport. In this regime, gate dependent transport has

  16. Density functional theory calculations of charge transport properties ...

    Indian Academy of Sciences (India)

    ZIRAN CHEN

    2017-08-04

    Aug 4, 2017 ... Density functional theory calculations of charge transport properties of 'plate-like' coronene topological structures. ZIRAN CHENa, ZHANRONG HEa, YOUHUI XUa and WENHAO YUb,∗. aDepartment of Architecture and Environment Engineering, Sichuan Vocational and Technical College, Suining,.

  17. Chemical bonding and charge density distribution analysis of ...

    Indian Academy of Sciences (India)

    Ceramics; charge density; X-ray diffraction; bonding; microstructure. 1. Introduction. Ferroelectric perovskite materials are .... on Powder Diffraction Standards (JCPDS) database. (PDF# 05-0626). Existence of well-defined and ..... Li W, Xu Z, Chu R, Fu P and Hao J 2010 J. Alloy. Compd. 499 255. 9. Glinchuk M D, Bykov I P, ...

  18. Charge density wave dynamics from ultrafast XUV ARPES

    Directory of Open Access Journals (Sweden)

    Frassetto F.

    2013-03-01

    Full Text Available Ultrafast angle–resolved XUV photoemission reveals the time- and momentum-dependent electronic structure of 1T–TaS2, a hybrid Mott and charge-density-wave insulator. Both electronic orderings melt well before the lattice responds, suggesting that electronic correlations play a role not just in the Mott localization but in the CDW ordering as well.

  19. High density thermite mixture for shaped charge ordnance disposal

    Directory of Open Access Journals (Sweden)

    Tamer Elshenawy

    2017-10-01

    Full Text Available The effect of thermite mixture based on aluminum and ferric oxides for ammunition neutralization has been studied and tested. Thermochemical calculations have been carried out for different percentage of Al using Chemical Equilibrium Code to expect the highest performance thermite mixture used for shaped charge ordnance disposal. Densities and enthalpy of different formulations have been calculated and demonstrated. The optimized thermite formulation has been prepared experimentally using cold iso-static pressing technique, which exhibited relatively high density and high burning rate thermite mixture. The produced green product compacted powder mixture was tested against small caliber shaped charge bomblet for neutralization. Theoretical and experimental results showed that the prepared thermite mixture containing 33% of aluminum as a fuel with ferric oxide can be successfully used for shaped charge ordnance disposal.

  20. Interchain interaction and fractionally charged solitons in a commensurate charge-density-wave system

    DEFF Research Database (Denmark)

    Jensen, Mogens Høgh; Lomdahl, P. S.

    1982-01-01

    We have studied the effect of interchain interaction on thermally excited solitons in a charge-density wave for a Peierls system of commensurability 3. In such a system solitons with charges ±2e / 3 are expected. It is shown that the interchain coupling in some cases will generate solitons...... with lower and higher charge than ±2e / 3. The effect of discreteness is taken into account and gives rise to chaotic deformed solitons as the interchain coupling increases. The model may be applied to tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ) under 19-kbar pressure....

  1. The density functional theory and the charged fluid molecular dynamics

    International Nuclear Information System (INIS)

    Hansen, J.P.; Zerah, G.

    1993-01-01

    Car and Parrinello had the idea of combining the density functional theory (Hohenberg, Kohn and Sham) to the 'molecular dynamics' numerical modelling method, in order to simulate metallic or co-valent solids and liquids from the first principles. The objective of this paper is to present a simplified version of this method ab initio, applicable to classical and quantal charged systems. The method is illustrated with recent results on charged colloidal suspensions and highly correlated electron-proton plasmas. 1 fig., 21 refs

  2. First-principle calculation of electrons charge density in the diamond ...

    African Journals Online (AJOL)

    structure semiconductor crystals has been performed. In a typical modern electronic structure calculation, the charge density is obtained from a certain density functional, however, the charge density in this work was obtained from first principles.

  3. High charge density and mobility in poly(3-hexylthiophene) using a polarizable gate dielectric

    NARCIS (Netherlands)

    Naber, R.C.G.; Mulder, M; de Boer, B; Blom, PWM; de Leeuw, DM

    Organic field-effect transistors (OFETs) typically exhibit either a high charge transport mobility or a high charge density. Here we demonstrate an OFET in which both the mobility and the charge density have high values of 0.1 cm(2)/V s and 28 mC/m(2), respectively. The high charge density is

  4. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav

    2011-11-28

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  5. Pion transverse charge density from timelike form factor data

    Energy Technology Data Exchange (ETDEWEB)

    Gerald Miller, Mark Strikman, Christian Weiss

    2011-01-01

    The transverse charge density in the pion can be represented as a dispersion integral of the imaginary part of the pion form factor in the timelike region. This formulation incorporates information from e+e- annihilation experiments and allows one to reconstruct the transverse density much more accurately than from the spacelike pion form factor data alone. We calculate the transverse density using an empirical parametrization of the timelike pion form factor and estimate that it is determined to an accuracy of ~10% at a distance b ~ 0.1 fm, and significantly better at larger distances. The density is found to be close to that obtained from a zero-width rho meson pole over a wide range and shows a pronounced rise at small distances. The resulting two-dimensional image of the fast-moving pion can be interpreted in terms of its partonic structure in QCD. We argue that the singular behavior of the charge density at the center requires a substantial presence of pointlike configurations in the pion's partonic wave function, which can be probed in other high-momentum transfer processes.

  6. High density thermite mixture for shaped charge ordnance disposal

    OpenAIRE

    Tamer Elshenawy; Salah Soliman; Ahmed Hawass

    2017-01-01

    The effect of thermite mixture based on aluminum and ferric oxides for ammunition neutralization has been studied and tested. Thermochemical calculations have been carried out for different percentage of Al using Chemical Equilibrium Code to expect the highest performance thermite mixture used for shaped charge ordnance disposal. Densities and enthalpy of different formulations have been calculated and demonstrated. The optimized thermite formulation has been prepared experimentally using col...

  7. Density functional theory calculations of charge transport properties ...

    Indian Academy of Sciences (India)

    In this paper, we used density functional theory (DFT) at the M06-2X/6−31+G(d) level to compute the charge transport rates of nine coronene topological structures. The results show that the energy gap of these nine coronene derivatives is in the range 2.90–3.30 eV, falling into the organic semiconductor category. The size ...

  8. first-principle calculation of electrons charge density in the diamond

    African Journals Online (AJOL)

    DR. AMINU

    ABSTRACT. A computational study of the total electrons charge density in the diamond-structure semiconductor crystals has been performed. In a typical modern electronic structure calculation, the charge density is obtained from a certain density functional, however, the charge density in this work was obtained from.

  9. Effects of fibre dimension and charge density on nanocellulose gels.

    Science.gov (United States)

    Mendoza, Llyza; Gunawardhana, Thilina; Batchelor, Warren; Garnier, Gil

    2018-04-18

    Carboxylated cellulose nanofibres can produce gels at low concentrations. The effect of pulp source on the nanocellulose fibre dimension and gel rheology are studied. It is hypothesised that fibre length and surface charge influence aspects of the gel rheological properties. TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl)- mediated oxidised cellulose nanofibres from never-dried hardwood and softwood pulp and containing different charge levels were produced and characterized. Steady-state and dynamic rheological studies were performed to ascertain the effects of pulp type on gel behavior and properties. Nanocellulose fibres extracted from softwood (SW-TOCN) and hardwood (HW-TOCN) pulp exhibit similar widths but different length dimensions as shown via AFM analysis. Rheological measurements show that the dynamic moduli (G' and G'') of nanocellulose gels are independent of pulp source and are mostly influenced by fibre concentration. Differences in the steady-state behavior (i.e. viscosity) at constant surface charge can be attributed to differences in fibre length. Increasing the surface charge density influences the critical strain and the viscosity at the percolation concentration (0.1 wt%) due to higher electrostatic interactions. Crown Copyright © 2018. Published by Elsevier Inc. All rights reserved.

  10. Measuring charge density of electron beam single nanosecond pulses

    International Nuclear Information System (INIS)

    Gonchar, A.I.; Nesterenko, V.S.; Fazkullin, V.A.

    1982-01-01

    A description is presented of a probe design and electrometric repeater circuit and technique for measuring the charge (current) density of electron beam single pulses by integrating current at a reference capacitor with a subsequent registering of voltage across the capacitor. The probe consists of a band-type signal electrodes and two oval cross-section sleeves: external and internal with larger and smaller rectangular openings, respectively. The external sleeve has antidynatron grid located over the hole. The design employs integer nickel sleever - the cores of electron tube cathodes. The signal electrode is made of nickel band 0.15 mm thick. The probe elements are insulated from each other along the whole length with a layer of teflon band (30 μm), with rectangular openings cut in compliance with the sleeve openings. The measurement range is from 0.4x10 - 9 to 1x10 - 7 C/cm 2 . The rated accuracy of measurements is no worse than +-5% for the beam energy of 0.2 to 3 KeV. The ultimate parameters the charge density - 6 C/cm 2 and direct current density 3 mA/cm 2 - are specified by the breakdown voltage (200 V) of the input capacitor and probe insulation

  11. Charge density wave in hydrogen at high pressure

    Science.gov (United States)

    Magdău, Ioan B.; Ackland, Graeme J.

    2017-10-01

    We present extensive molecular dynamics (MD) simulations investigating numerous candidate crystal structures for hydrogen in conditions around the present experimental frontier (400 GPa). Spontaneous phase transitions in the simulations reveal a new structure candidate comprising twofold coordinated chains of hydrogen atoms. We explain the electronic structure of this phase in terms of a charge density wave and calculate its experimental signature. In detailed tests of the accuracy of our calculation, we find that k-point sampling is far more important in MD than in static calculations, because of the freedom it give the atoms to rearrange themselves optimally for the given sampling.

  12. Charge density study of two FeS2 polymorphs

    DEFF Research Database (Denmark)

    Schmøkel, Mette Stokkebro; Jørgensen, Mads Ry Vogel; Bjerg, Lasse

    experimental electron density studies of an inorganic solid containing a transition metal was presented by Stevens et al. [2] who investigated the effect of crystal-field splitting of the partially filled iron d-orbitals in the pyrite structure of FeS2. Other studies of various FeS2 structures, including...... pyrite, has been performed by Gibbs et al. [3], however, these are all based on theoretical calculations rather than experiment. In the current study we revisit FeS2 through an experimental charge density study of the two low-spin iron FeS2 structures, pyrite and marcasite. High-quality, low...... been determined by multipole least squares modelling and analyzed by means of the Quantum Theory of Atoms in Molecules. The resulting topology has been compared to the results obtained by Gibbs et al. and to current periodic ab-initio DFT calculations and in general a good agreement between experiment...

  13. Charge carrier density in Li-intercalated graphene

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-05-01

    The electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young\\'s modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.

  14. Charge density glass dynamics – Soft potentials and soft modes

    International Nuclear Information System (INIS)

    Biljaković, K.; Starešinić, D.; Lasjaunias, J.C.; Remenyi, G.; Mélin, R.; Monceau, P.; Sahling, S.

    2012-01-01

    An universal fingerprint of glasses has been found in low-temperature thermodynamic properties of charge/spin density wave (C/SDW) systems. Deviations from the well-known Debye, elastic continuum prediction for specific heat (flat C p /T 3 plot) appear as two anomalies; the upturn below 1 K and a broad bump at T∼10 K (named Boson peak in glasses). The first one, inherent of localized two level systems within the shalow corrugated phase space, exhibits slow relaxation with the complex dynamics. The second one, “Boson peak-like peak” was attributed to the pinned mode and incomplete softening of CDW superstructural mode. We discuss similar C p (T) features found also in incommensurate dielectrics with well documented soft-mode anomalies.

  15. Charge density glass dynamics - Soft potentials and soft modes

    Energy Technology Data Exchange (ETDEWEB)

    Biljakovic, K., E-mail: katica@ifs.hr [Institute of Physics, HR-10001, Zagreb, P.O. Box 304 (Croatia); Staresinic, D., E-mail: damirs@ifs.hr [Institute of Physics, HR-10001, Zagreb, P.O. Box 304 (Croatia); Lasjaunias, J.C., E-mail: jean-claude.lasjaunias@pop3.grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Remenyi, G., E-mail: Gyorgy.Remenyi@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Melin, R., E-mail: Regis.Melin@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Monceau, P., E-mail: pierre.monceau@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Sahling, S., E-mail: sven.olaf@gmail.com [Institut fuer Festkoerperphysik, Universitaet Dresden, D-01062, Dresden (Germany)

    2012-06-01

    An universal fingerprint of glasses has been found in low-temperature thermodynamic properties of charge/spin density wave (C/SDW) systems. Deviations from the well-known Debye, elastic continuum prediction for specific heat (flat C{sub p}/T{sup 3} plot) appear as two anomalies; the upturn below 1 K and a broad bump at T{approx}10 K (named Boson peak in glasses). The first one, inherent of localized two level systems within the shalow corrugated phase space, exhibits slow relaxation with the complex dynamics. The second one, 'Boson peak-like peak' was attributed to the pinned mode and incomplete softening of CDW superstructural mode. We discuss similar C{sub p}(T) features found also in incommensurate dielectrics with well documented soft-mode anomalies.

  16. Interference effects in the nonlinear charge density wave dynamics

    International Nuclear Information System (INIS)

    Jelcic, D.; Batistic, I.; Bjelis, A.

    1987-12-01

    The main features of the nonlinear charge density wave transport in the external dc-ac field are shown to be the natural consequences of resonant phase slip diffusion. This process is treated numerically within the time dependent Landau-Ginzburg model, developed by Gor'kov. The resonances in the ac field are manifested as Shapiro steps in I-V characteristics, present at all rational ratios of internal frequency of current oscillations and external ac frequency. The origin of Shapiro steps, as well as their forms and heights, are cosidered in detail. In particular, it is shown that close to resonances the phase slip voltage acquires a highly nonsinusoidal modulation which leads to the appearance of low frequency and satellite peaks in the Fourier spectrum. Taking into account the interference of adjacent phase slips and the segment or domain structure of physical samples, we interpret the finite width of steps, side wings, synchronization, incomplete and complete mode locking and some other effects observed in numerous experiments on NbSe 3 and other CDW materials. (author). 36 refs, 12 figs

  17. Charge-density matching in organic-inorganic uranyl compounds

    International Nuclear Information System (INIS)

    Krivovichev, S.V.; Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.

    2007-01-01

    Single crystals of [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 (H 2 O)](H 2 SeO 4 ) 0.85 (H 2 O) 2 (1), [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 ] (H 2 SeO 4 ) 0.50 (H 2 O) (2), and [C 8 H 20 N] 2 [(UO 2 )(SeO 4 ) 2 (H 2 O)] (H 2 O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO 7 and SeO 4 polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO 2 (SeO 4 ) 2 (H 2 O)] 2- chains are separated by mixed organic-inorganic layers comprising from [NH 3 (CH 2 ) 10 NH 3 ] 2+ molecules, H 2 O molecules, and disordered electroneutral (H 2 SeO 4 ) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO 2 (SeO 4 ) 2 ] 2- sheet. The structure of 3 does not contain disordered (H 2 SeO 4 ) groups but is based upon alternating [UO 2 (SeO 4 ) 2 (H 2 O)] 2- sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH 3 (CH 2 ) 7 CH 3 ] + . The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in general, actinyl) chemistry, it requires specific additional mechanisms: (a) in long-chain-amine-templated compounds, protonated amine molecules inter-digitate; (b) in long-chain-diamine-templated compounds, incorporation of acid-water interlayers into

  18. Bond index: relation to second-order density matrix and charge fluctuations

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.; Jorge, F.E.

    1985-01-01

    It is shown that, in the same way as the atomic charge is an invariant built from the first-order density matrix, the closed-shell generalized bond index is an invariant associated with the second-order reduced density matrix. The active charge of an atom (sum of bond indices) is shown to be the sum of all density correlation functions between it and the other atoms in the molecule; similarly, the self-charge is the fluctuation of its total charge. (Author) [pt

  19. Electronic properties and charge density of BexZn1−xTe alloys

    Indian Academy of Sciences (India)

    covalent character of bonding compared to other wide gap II–. VI semiconductors like ZnTe. The first-principles ... basis of heteropolar gap (Al-Douri et al 2003). 2. Empirical pseudopotential method. EPM (Cohen ..... anion plane z = 0·25 used to compute charge density are shaded. Figure 5. Charge density obtained at the ...

  20. Charge Density Quantification of Polyelectrolyte Polysaccharides by Conductometric Titration: An Analytical Chemistry Experiment

    Science.gov (United States)

    Farris, Stefano; Mora, Luigi; Capretti, Giorgio; Piergiovanni, Luciano

    2012-01-01

    An easy analytical method for determination of the charge density of polyelectrolytes, including polysaccharides and other biopolymers, is presented. The basic principles of conductometric titration, which is used in the pulp and paper industry as well as in colloid and interface science, were adapted to quantify the charge densities of a…

  1. Far-Infrared Study of the Charge Density Wave in Tetrathiofulvalene Tetracyanoquinodimethane (TTF-TCNQ)

    DEFF Research Database (Denmark)

    Tanner, D. B.; Cummings, K. D.; Jacobsen, Claus Schelde

    1981-01-01

    Detailed far-infrared measurements at temperatures from 25 to 300 K provide strong support for a charge-density-wave mechanism for the dc conductivity and microwave dielectric constant of tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ). At low temperatures the charge-density wave is pinned...... at 40 cm-1 while at higher temperatures it appears at zero frequency. Values are obtained for the effective mass (20m*) and lifetime (1.6×10-12 sec at 60 K) of the charge-density wave.......Detailed far-infrared measurements at temperatures from 25 to 300 K provide strong support for a charge-density-wave mechanism for the dc conductivity and microwave dielectric constant of tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ). At low temperatures the charge-density wave is pinned...

  2. Charge-density matching in organic-inorganic uranyl compounds

    Energy Technology Data Exchange (ETDEWEB)

    Krivovichev, S.V. [Saint Petersburg State Univ., Dept. of Crystallography, Faculty of Geology (Russian Federation); Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F. [Russian Academy of Sciences, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Moscow (Russian Federation)

    2007-10-15

    Single crystals of [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}SeO{sub 4}){sub 0.85}(H{sub 2}O){sub 2} (1), [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}] (H{sub 2}SeO{sub 4}){sub 0.50}(H{sub 2}O) (2), and [C{sub 8}H{sub 20}N]{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (H{sub 2}O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO{sub 7} and SeO{sub 4} polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} chains are separated by mixed organic-inorganic layers comprising from [NH{sub 3}(CH{sub 2}){sub 10}NH{sub 3}]{sup 2+} molecules, H{sub 2}O molecules, and disordered electroneutral (H{sub 2}SeO{sub 4}) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO{sub 2}(SeO{sub 4}){sub 2}]{sup 2-} sheet. The structure of 3 does not contain disordered (H{sub 2}SeO{sub 4}) groups but is based upon alternating [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH{sub 3}(CH{sub 2}){sub 7}CH{sub 3}]{sup +}. The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in

  3. Quantum coherent switch utilizing commensurate nanoelectrode and charge density periodicities

    Science.gov (United States)

    Harrison, Neil [Santa Fe, NM; Singleton, John [Los Alamos, NM; Migliori, Albert [Santa Fe, NM

    2008-08-05

    A quantum coherent switch having a substrate formed from a density wave (DW) material capable of having a periodic electron density modulation or spin density modulation, a dielectric layer formed onto a surface of the substrate that is orthogonal to an intrinsic wave vector of the DW material; and structure for applying an external spatially periodic electrostatic potential over the dielectric layer.

  4. Charge-scaling effect in ionic liquids from the charge-density analysis of N,N'-dimethylimidazolium methylsulfate.

    Science.gov (United States)

    Beichel, Witali; Trapp, Nils; Hauf, Christoph; Kohler, Oliver; Eickerling, Georg; Scherer, Wolfgang; Krossing, Ingo

    2014-03-17

    The charge scaling effect in ionic liquids was explored on the basis of experimental and theoretical chargedensity analyses of [C1MIM][C1SO4] employing the quantum theory of atoms in molecules (QTAIM) approach. Integrated QTAIM charges of the experimental (calculated) charge density of the cation and anion resulted in non-integer values of ±0.90 (±0.87) e. Efficient charge transfer along the bond paths of the hydrogen bonds between the imidazolium ring and the anion was considered as the origin of these reduced charges. In addition, a detailed QTAIM analysis of the bonding situation in the [C1SO4]- anion revealed the presence of negative πO→σ*S-O hyperconjugation.

  5. Charge-density study on layered oxyarsenides (LaO)MAs (M = Mn, Fe, Ni, Zn)

    Science.gov (United States)

    Takase, Kouichi; Hiramoto, Shozo; Fukushima, Tetsuya; Sato, Kazunori; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

    2017-12-01

    Using synchrotron X-ray powder diffraction, we investigate the charge-density distributions of the layered oxypnictides (LaO)MnAs, (LaO)FeAs, (LaO)NiAs, and (LaO)ZnAs, which are an antiferromagnetic semiconductor, a parent material of an iron-based superconductor, a low-temperature superconductor, and a non-magnetic semiconductor, respectively. For the metallic samples, clear charge densities are observed in both the transition-metal pnictide layers and the rare-earth-oxide layers. However, in the semiconducting samples, there is no finite charge density between the transition-metal element and As. These differences in charge density reflect differences in physical properties. First-principles calculations using density functional theory reproduce the experimental results reasonably well.

  6. Charged particle density distributions in Au+ Au collisions at ...

    Indian Academy of Sciences (India)

    Charged particle pseudorapidity distributions have been measured in Au + Au collisions using the BRAHMS detector at RHIC. The results are presented as a function of the collision centrality and the center of mass energy. They are compared to the predictions of different parton scattering models and the important role of ...

  7. Modulated spin and charge densities in cuprate superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Tranquada, J.M.

    1997-08-01

    Neutron scattering experiments have played a crucial role in characterizing the spin and charge correlations in copper-oxide superconductors. While the data are often interpreted with respect to specific theories of the cuprates, an attempt is made here to distinguish those facts that can be extracted empirically, and the connections that can be made with minimal assumptions.

  8. Charged particle density distributions in Au + Au collisions at ...

    Indian Academy of Sciences (India)

    Charged particle pseudorapidity distributions have been measured in Au + Au collisions using the BRAHMS detector at RHIC. The results are presented as a function of the collision centrality and the center of mass energy. They are compared to the predictions of different parton scattering models and the important role of ...

  9. Peltier effect in multilayered nanopillars under high density charge current

    International Nuclear Information System (INIS)

    Gravier, L; Fukushima, A; Kubota, H; Yamamoto, A; Yuasa, S

    2006-01-01

    From the basic equations of thermoelectricity, we model the thermal regimes that develop in multilayered nanopillar elements experiencing continuous charge currents. The energy conservation principle was applied to all layer-layer and layer-electrode junctions. The obtained set of equations was solved to derive the temperature of each junction. The contribution of the Peltier effect is included in an effective resistance. This model gives satisfactory fits to experimental data obtained on a series of reference nanopillar elements

  10. Lateral diffusion of the topological charge density in stochastic optical fields

    CSIR Research Space (South Africa)

    Roux, FS

    2010-01-01

    Full Text Available Stochastic (i.e. random and quasi-random) optical fields may contain distributions of optical vortices that are represented by non-uniform topological charge densities. Numerical simulations are used to investigate the evolution under free...

  11. Determination of charge carrier mobility in doped low density polyethylene using DC transients

    DEFF Research Database (Denmark)

    Khalil, M.Salah; Henk, Peter O; Henriksen, Mogens

    1989-01-01

    Charge carrier mobility was determined for plain and doped low-density polyethylene (LDPE) using DC transient currents. Barium titanate was used as a strongly polar dopant and titanium dioxide as a semiconductor dopant. The values of the mobility obtained were on the order of 10-10 cm2 v-1 s-1...... by a factor of five. Charge trapping and space charge formation were modified by the introduction of titanium dioxide...

  12. Rendering high charge density of states in ionic liquid-gated MoS 2 transistors

    NARCIS (Netherlands)

    Lee, Y.; Lee, J.; Kim, S.; Park, H.S.

    2014-01-01

    We investigated high charge density of states (DOS) in the bandgap of MoS2 nanosheets with variable temperature measurements on ionic liquid-gated MoS2 transistors. The thermally activated charge transport indicates that the electrical current in the two-dimensional MoS 2 nanosheets under high

  13. Charged particle density distributions in Au·Au collisions at ...

    Indian Academy of Sciences (India)

    Charged particle pseudorapidity distributions have been measured in Au·Au collisions using the BRAHMS ... Relativistic heavy-ion collisions; charged hadron production; pseudorapidity distribu- tions; centrality .... the predictions of two different theoretical models: (i) the high density gluon saturation model of Kharzeev and ...

  14. Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements.

    Science.gov (United States)

    Villeneuve-Faure, C; Boudou, L; Makasheva, K; Teyssedre, G

    2017-12-15

    To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson's equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

  15. Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements

    Science.gov (United States)

    Villeneuve-Faure, C.; Boudou, L.; Makasheva, K.; Teyssedre, G.

    2017-12-01

    To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson’s equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

  16. On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps.

    Science.gov (United States)

    Wang, Jimin

    2017-06-01

    Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point-field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge-fitting procedures from theoretical ESP density obtained from condensed-state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. © 2017 The Protein Society.

  17. Charge density of GaxAl1− xSb

    Indian Academy of Sciences (India)

    Charge density calculations and electronic band structures for GaAl1- = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. = 0:0, 0.125 and 0.25 0 by generating the potential through a ...

  18. Chemical bonding and charge density distribution analysis of ...

    Indian Academy of Sciences (India)

    The mid bond electron density values revealed the enhancement of covalent nature between titanium and oxygen ions and predominant ionic nature between barium and oxygen ions. Average grain sizes were estimated for the undoped and doped samples. SEM investigations showed the existence of smaller grains with ...

  19. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Science.gov (United States)

    Ahn, Yongjun; Yeo, Hwasoo

    2015-01-01

    The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric

  20. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Directory of Open Access Journals (Sweden)

    Yongjun Ahn

    Full Text Available The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive

  1. Nanoscale smoothing and the analysis of interfacial charge and dipolar densities

    International Nuclear Information System (INIS)

    Junquera, Javier; Cohen, Morrel H; Rabe, Karin M

    2007-01-01

    The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening lengths, among others. Most such properties are inaccessible to direct measurements, but are key to understanding the physics of the multilayers. They are contained within first-principles electronic structure computations but are buried within the vast amount of quantitative information those computations generate. Thus far, they have been extracted from the numerical data by heuristic nanosmoothing procedures which do not necessarily provide results independent of the smoothing process. In the present paper we develop the theory of nanosmoothing, establishing procedures for both unpolarized and polarized systems which yield interfacial charge and dipole densities and band offsets invariant to the details of the smoothing procedures when the criteria we have established are met. We show also that dipolar charge densities, i.e. the densities of charge transferred across the interface, and screening lengths are not invariant. We illustrate our procedure with a toy model in which real, transversely averaged charge densities are replaced by sums of Gaussians. (topical review)

  2. Space charge profiles in low density polyethylene samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Bambery, K.R.; Fleming, R.J.; Holbøll, Joachim

    2001-01-01

    Laser induced pressure pulse space charge measurements were made on 1.5 mm thick plaques of high purity low density polyethylene equipped with vacuum-evaporated aluminium electrodes. Temperature differences up to 20 °C were maintained across the samples, which were subjected to dc fields up to 1.......5×107 V m-1. Current density was also measured as a function of temperature and field. Space charge due exclusively to the temperature gradient was detected, with density of order 0.01 C m-3. The activation energy associated with the transport of electrons through the bulk was calculated as 0.09 e...... were inferred by combining the space charge and current density measurements...

  3. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling.

    Science.gov (United States)

    Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero

    2017-08-01

    The possibility to determine electron-density distribution in crystals has been an enormous breakthrough, stimulated by a favourable combination of equipment for X-ray and neutron diffraction at low temperature, by the development of simplified, though accurate, electron-density models refined from the experimental data and by the progress in charge density analysis often in combination with theoretical work. Many years after the first successful charge density determination and analysis, scientists face new challenges, for example: (i) determination of the finer details of the electron-density distribution in the atomic cores, (ii) simultaneous refinement of electron charge and spin density or (iii) measuring crystals under perturbation. In this context, the possibility of obtaining experimental charge density at high pressure has recently been demonstrated [Casati et al. (2016). Nat. Commun. 7, 10901]. This paper reports on the necessities and pitfalls of this new challenge, focusing on the species syn-1,6:8,13-biscarbonyl[14]annulene. The experimental requirements, the expected data quality and data corrections are discussed in detail, including warnings about possible shortcomings. At the same time, new modelling techniques are proposed, which could enable specific information to be extracted, from the limited and less accurate observations, like the degree of localization of double bonds, which is fundamental to the scientific case under examination.

  4. Charge and transition densities of samarium isotopes in the interacting Boson model

    International Nuclear Information System (INIS)

    Moinester, M.A.; Alster, J.; Dieperink, A.E.L.

    1982-01-01

    The interacting boson approximation (IBA) model has been used to interpret the ground-state charge distributions and lowest 2 + transition charge densities of the even samarium isotopes for A = 144-154. Phenomenological boson transition densities associated with the nucleons comprising the s-and d-bosons of the IBA were determined via a least squares fit analysis of charge and transition densities in the Sm isotopes. The application of these boson trasition densities to higher excited 0 + and 2 + states of Sm, and to 0 + and 2 + transitions in neighboring nuclei, such as Nd and Gd, is described. IBA predictions for the transition densities of the three lowest 2 + levels of 154 Gd are given and compared to theoretical transition densities based on Hartree-Fock calculations. The deduced quadrupole boson transition densities are in fair agreement with densities derived previously from 150 Nd data. It is also shown how certain moments of the best fit boson transition densities can simply and sucessfully describe rms radii, isomer shifts, B(E2) strengths, and transition radii for the Sm isotopes. (orig.)

  5. Charge density modification of carboxylated cellulose nanocrystals for stable silver nanoparticles suspension preparation

    International Nuclear Information System (INIS)

    Hoeng, Fanny; Denneulin, Aurore; Neuman, Charles; Bras, Julien

    2015-01-01

    Synthesis of silver nanoparticles using cellulose nanocrystals (CNC) has been found to be a great method for producing metallic particles in a sustainable way. In this work, we propose to evaluate the influence of the charge density of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-oxidized CNC on the morphology and the stability of synthetized silver nanoparticles. Silver nanoparticles were obtained by sol–gel reaction using borohydride reduction, and charge density of TEMPO-oxidized CNC was tuned by an amine grafting. The grafting was performed at room temperature and neutral pH. Crystallinity and morphology were kept intact during the peptidic reaction on CNC allowing knowing the exact impact of the charge density. Charge density has been found to have a strong impact on shape, organization, and suspension stability of resulting silver particles. Results show an easy way to tune the charge density of CNC and propose a sustainable way to control the morphology and stability of silver nanoparticles in aqueous suspension

  6. Method of measuring a profile of the density of charged particles in a particle beam

    International Nuclear Information System (INIS)

    Hyman, L.G.; Jankowski, D.J.

    1975-01-01

    A profile of the relative density of charged particles in a beam is obtained by disposing a number of rods parallel to each other in a plane perpendicular to the beam and shadowing the beam. A second number of rods is disposed perpendicular to the first rods in a plane perpendicular to the beam and also shadowing the beam. Irradiation of the rods by the beam of charged particles creates radioactive isotopes in a quantity proportional to the number of charged particles incident upon the rods. Measurement of the radioactivity of each of the rods provides a measure of the quantity of radioactive material generated thereby and, together with the location of the rods, provides information sufficient to identify a profile of the density of charged particles in the beam

  7. Investigation of space charge in low-density polyethylene using a field probe technique

    DEFF Research Database (Denmark)

    Khalil, M. Salah; Hansen, Bo Svarrer

    1988-01-01

    A test method that uses a capacitive field probe to investigate the space charge distribution in low-density polyethylene (LDPE) is described. Specimens of 7-mm thickness were stressed under 100 kV DC at room temperature and for different time periods. The results indicate that the LDPE insulation...... layer between electrodes is occupied by positive and negative homocharges. The dependence of space charge distribution on the stressing time is also evident...

  8. Chiral anomaly, charge density waves, and axion strings from Weyl semimetals

    Science.gov (United States)

    Wang, Zhong; Zhang, Shou-Cheng

    2013-04-01

    We study dynamical instability and chiral symmetry breaking in three-dimensional Weyl semimetals, which turns Weyl semimetals into “axion insulators.” Charge density waves (CDWs) are found to be the natural consequence of chiral symmetry breaking. The phase mode of this charge density wave state is identified as the axion, which couples to an electromagnetic field in the topological θE·B term. One of our main results is that “axion strings” can be realized as the (screw or edge) dislocations in the charge density wave, which provides a simple physical picture for the elusive axion strings. These axion strings carry gapless chiral modes, therefore they have important implications for dissipationless transport properties of Weyl semimetals with broken symmetry.

  9. Extraction Compression and Acceleration of High Line Charge Density Ion Beams

    CERN Document Server

    Henestroza, Enrique; Grote, D P; Peters, Craig; Yu, Simon

    2005-01-01

    HEDP applications require high line charge density ion beams. An efficient method to obtain this type of beams is to extract a long pulse, high current beam from a gun at high energy, and let the beam pass through a decelerating field to compress it. The low energy beam bunch is loaded into a solenoid and matched to a Brillouin flow. The Brillouin equilibrium is independent of the energy if the relationship between the beam size (a), solenoid magnetic field strength (B) and line charge density is such that (Ba)2

  10. Quantum time crystal by decoherence: Proposal with an incommensurate charge density wave ring

    Science.gov (United States)

    Nakatsugawa, K.; Fujii, T.; Tanda, S.

    2017-09-01

    We show that time translation symmetry of a ring system with a macroscopic quantum ground state is broken by decoherence. In particular, we consider a ring-shaped incommensurate charge density wave (ICDW ring) threaded by a fluctuating magnetic flux: the Caldeira-Leggett model is used to model the fluctuating flux as a bath of harmonic oscillators. We show that the charge density expectation value of a quantized ICDW ring coupled to its environment oscillates periodically. The Hamiltonians considered in this model are time independent unlike "Floquet time crystals" considered recently. Our model forms a metastable quantum time crystal with a finite length in space and in time.

  11. Pushing X-ray charge densities to the limit: Comparative study of CoSb3

    DEFF Research Database (Denmark)

    Schmøkel, Mette Stokkebro; Larsen, Finn Krebs; Overgaard, Jacob

    ] In order to understand the origin of the thermoelectric properties of this family of materials, it is important to understand the crystal structure and chemical bonding of the un-doped host material.[3] This can be achieved through analysis of the charge density, which in principle can be obtained from...... modeling of accurate X-ray diffraction data.[4] However, considering the heavy elements, the high symmetry and the perfect crystallinity of this inorganic network structure one cannot think of a much more challenging case for experimental charge density analysis. In the present study we analyze several low...

  12. Finite temperature fermion condensate, charge and current densities in a (2+1)-dimensional conical space

    Energy Technology Data Exchange (ETDEWEB)

    Bellucci, S. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Bezerra de Mello, E.R. [Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Braganca, E. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Saharian, A.A. [Yerevan State University, Department of Physics, Yerevan (Armenia)

    2016-06-15

    We evaluate the fermion condensate and the expectation values of the charge and current densities for a massive fermionic field in (2+1)-dimensional conical spacetime with a magnetic flux located at the cone apex. The consideration is done for both irreducible representations of the Clifford algebra. The expectation values are decomposed into the vacuum expectation values and contributions coming from particles and antiparticles. All these contributions are periodic functions of the magnetic flux with the period equal to the flux quantum. Related to the non-invariance of the model under the parity and time-reversal transformations, the fermion condensate and the charge density have indefinite parity with respect to the change of the signs of the magnetic flux and chemical potential. The expectation value of the radial current density vanishes. The azimuthal current density is the same for both the irreducible representations of the Clifford algebra. It is an odd function of the magnetic flux and an even function of the chemical potential. The behavior of the expectation values in various asymptotic regions of the parameters are discussed in detail. In particular, we show that for points near the cone apex the vacuum parts dominate. For a massless field with zero chemical potential the fermion condensate and charge density vanish. Simple expressions are derived for the part in the total charge induced by the planar angle deficit and magnetic flux. Combining the results for separate irreducible representations, we also consider the fermion condensate, charge and current densities in parity and time-reversal symmetric models. Possible applications to graphitic nanocones are discussed. (orig.)

  13. Charge and density fluctuations lock horns: ionic criticality with power-law forces

    International Nuclear Information System (INIS)

    Aqua, Jean-Noel; Fisher, Michael E

    2004-01-01

    How do charge and density fluctuations compete in ionic fluids near gas-liquid criticality when quantum mechanical effects play a role? To gain some insight, long-range Φ L ±± /r d+σ interactions (with σ > 0), which encompass van der Waals forces (when σ = d = 3), have been incorporated in exactly soluble, d-dimensional 1:1 ionic spherical models with charges ±q 0 and hard-core repulsions. In accord with previous work, when d > min{σ, 2} (and q 0 is not too large), the Coulomb interactions do not alter the (q 0 = 0) critical universality class that is characterized by density correlations at criticality decaying as 1/r d-2+η with η = max{0, 2 - σ}. But screening is now algebraic, the charge-charge correlations decaying, in general, only as 1/r d+σ+4 ; thus σ = 3 faithfully mimics known noncritical d = 3 quantal effects. But in the absence of full (+, -) ion symmetry, density and charge fluctuations mix via a transparent mechanism: then the screening at criticality is weaker by a factor r 4-2η . Furthermore, the otherwise valid Stillinger-Lovett sum rule fails at criticality whenever η = 0 (as, e.g., when σ > 2) although it remains valid if η > 0 (as for σ < 2 or in real d ≤ 3 Ising-type systems). (letter to the editor)

  14. Charge density of GaxAl1− xSb

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... The charge density is computed for a number of planes, i.e. = 0:0, 0.125 and 0.25 0 by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and ...

  15. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

    DEFF Research Database (Denmark)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-01-01

    Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far...

  16. Comparison of the Volume Charge Density of Nanofiltration Membranes Obtained from Retention and Conductivity Experiments

    DEFF Research Database (Denmark)

    Benavente, J.; Silva, V.; Pradanos, P.

    2010-01-01

    A version of the Donnan steric-partitioning pore model with dielectrical exclusion (DSPM-DE) has been used to get information on the pore size and charge density of a commercial membrane, NF45 from FilmTec, from its retention of KCl solutions. The conductivity inside the pores has been measured b...

  17. Electrical transport through constrictions in the charge-density wave conductor NbSe3

    NARCIS (Netherlands)

    O´Neill, K.; Slot, E.; Thorne, R.; Van der Zant, H.

    2005-01-01

    We have investigated the electrical transport properties of insulating and metallic constrictions of dimensions 100nm-10_m in the charge-density wave (CDW) conductor NbSe3. The constrictions are made in a variety of ways: focused ion beam, reactive ion etching through a resist mask, and in a

  18. Electronic properties and charge density of BexZn1− xTe alloys

    Indian Academy of Sciences (India)

    II–VI semiconductor alloys; band structure; charge density; empirical pseudopotential method. Abstract. Electronic band structure calculations are performed for the BeZn1−Te (0 ≤ ≤ 1 in steps of 0.2) alloys following the empirical pseudopotential method. The alloying effects are modelled through the modified virtual ...

  19. Resonant soft x-ray scattering and charge density waves in correlated systems

    NARCIS (Netherlands)

    Rusydi, Andrivo

    2006-01-01

    Summary This work describes results obtained on the study of charge density waves (CDW) in strongly correlated systems with a new experimental method: resonant soft x-ray scattering (RSXS). The basic motivation is the 1986 discovery by Bednorz and Müler of a new type of superconductor, based on Cu

  20. Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate

    Czech Academy of Sciences Publication Activity Database

    Šlouf, Miroslav; Holý, Antonín; Petříček, Václav; Císařová, I.

    2002-01-01

    Roč. 58, č. 2 (2002), s. 519-529 ISSN 0108-7681 R&D Projects: GA ČR GA203/99/M037; GA AV ČR KSK4050111 Keywords : X-ray diffraction * charge density study * multipole refinement Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.026, year: 2002

  1. The effect of the charge density on the dipole moment of diatomic molecules

    International Nuclear Information System (INIS)

    Rosato, A.; Germano, J.S.E.

    1986-01-01

    The results of the calculation, using the Variational Cellular Method (VCM), of the electric dipole moment of several diatomic molecules are improved. In previous calculations, the electronic charge density was treated like a spherically symmetric function in the inscribed sphere within each cell and as being the same constant value for all intercellular regions. Since the results obtained with such an approximation have not been satisfactory, an improved approximation for the charge density in the intercellular regions is needed. It is considered that the charge density is still constant outside the inscribed sphere but with different values in each intercellular region. A new expression for the dipole moment is obtained, and applied to the diatomic molecules HF, CO, BF and CS. In addition, the corresponding dipole moment curves, potential energy curves and spectroscopic constants are calculated taking into consideration our approximation and the traditional approximation for the charge density. The results of the two models are compared with each other and with experimental results for all the molecules considered. (Author) [pt

  2. Conformations of polyelectrolyte macromolecules with different charge density in solutions of different ionic strengths

    International Nuclear Information System (INIS)

    Dommes, O A; Okatova, O V; Pavlov, G M

    2016-01-01

    Studies of charged polymer chains are interesting in both fundamental and applied aspects. Especially, polyelectrolytes attract huge attention of researchers due to their ability to form interpolymer complexes with synthetic and biopolymers. The study was carried out on the fractions of hydrophilic copolymers of N-methyl-N-vinyl acetamide and N-methyl-N-vinyl amine hydrochloride of different degrees of polymerization and of different charge density using methods of molecular hydrodynamics. Hydrodynamic and conformational characteristics as well as molar masses of isolated molecules were estimated. In addition, the intrinsic viscosity of fractions was studied at the extreme ionic strengths - in distilled water (∼10 -6 M) and in 6M NaCl. Scaling relations for intrinsic viscosity, sedimentation and translational diffusion coefficients with molar mass were obtained. Conformational behavior of macromolecules with different linear charge density was compared. (paper)

  3. The influence of oxidation on space charge formation in gamma-irradiated low-density polyethylene

    CERN Document Server

    Chen, G; Xie, H K; Banford, H M; Davies, A E

    2003-01-01

    The research presented in this paper investigates the role of oxidation in the formation of space charge in gamma-irradiated low-density polyethylene after being electrically stressed under dc voltage. Polyethylene plaques both with and without antioxidant were irradiated up to 500 kGy using a sup 6 sup 0 Co gamma source and space charge distributions were measured using the piezoelectric induced pressure wave propagation method. It has been found that a large amount of positive charge evolved adjacent to the cathode in the sample without antioxidant and was clearly associated with oxidation of the surface. The amount of charge formed for a given applied stress increased with the dose absorbed by the material. A model has been proposed to explain the formation of space charge and its profile. The charge decay after the removal of the external applied stress is dominated by a process being controlled by the cathode interfacial stress (charge injection) rather than a conventional RC circuit model. On the other ...

  4. Transverse charge and magnetization densities in the nucleon's chiral periphery

    Energy Technology Data Exchange (ETDEWEB)

    Granados, Carlos G. [JLAB Newport News, VA (United States); Weiss, Christian [JLAB Newport News, VA (United States)

    2014-01-01

    In the light-front description of nucleon structure the electromagnetic form factors are expressed in terms of frame-independent transverse densities of charge and magnetization. Recent work has studied the transverse densities at peripheral distances b = O(M{pi}{sup -1}), where they are governed by universal chiral dynamics and can be computed in a model-independent manner. Of particular interest is the comparison of the peripheral charge and magnetization densities. We summarize (a) their interpretation as spin-independent and -dependent current matrix elements; (b) the leading-order chiral effective field theory results; (c) their mechanical interpretation in the light-front formulation; (d) the large-N_c limit of QCD and the role of {Delta} intermediate states; (e) the connection with generalized parton distributions and peripheral high-energy scattering processes.

  5. Adsorption of benzene, toluene, and xylene by two tetramethylammonium-smectites having different charge densities

    Science.gov (United States)

    Lee, Jiunn-Fwu; Mortland, Max M.; Chiou, Cary T.; Kite, Daniel E.; Boyd, Stephen A.

    1990-01-01

    A high-charge smectite from Arizona [cation-exchange capacity (CEC) = 120 meq/100 g] and a low-charge smectite from Wyoming (CEC = 90 meq/100 g) were used to prepare homoionic tetramethylammonium (TMA)-clay complexes. The adsorption of benzene, toluene, and o-xylene as vapors by the dry TMA-clays and as solutes from water by the wet TMA-clays was studied. The adsorption of the organic vapors by the dry TMA-smectite samples was strong and apparently consisted of interactions with both the aluminosilicate mineral surfaces and the TMA exchange ions in the interlayers. In the adsorption of organic vapors, the closer packing of TMA ions in the dry high-charge TMA-smectite, compared with the dry low-charge TMA-smectite, resulted in a somewhat higher degree of shape-selective adsorption of benzene, toluene, and xylene. In the presence of water, the adsorption capacities of both samples for the aromatic compounds were significantly reduced, although the uptake of benzene from water by the low-charge TMA-smectite was still substantial. This lower sorption capacity was accompanied by increased shape-selectivity for the aromatic compounds. The reduction in uptake and increased selectivity was much more pronounced for the water-saturated, high-charge TMA-smectite than for the low-charge TMA-smectite. Hydration of the TMA exchange ions and/or the mineral surfaces apparently reduced the accessibility of the aromatic molecules to interlamellar regions. The resulting water-induced sieving effect was greater for the high-charge TMA-smectite due to the higher density of exchanged TMA-ions. The low-charge Wyoming TMA-smectite was a highly effective adsorbent for removing benzene from water and may be useful for purifying benzene-contaminated water.

  6. Crystal structure and charge density analysis of Li2NH by synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Noritake, T.; Nozaki, H.; Aoki, M.; Towata, S.; Kitahara, G.; Nakamori, Y.; Orimo, S.

    2005-01-01

    Complex hydrides, such as lithium amide (LiNH 2 ) and lithium imide (Li 2 NH), have recently been noticed as one of the most promising materials for reversible hydrogen storage. In this paper, we reveal the bonding nature of hydrogen in Li 2 NH crystal by synchrotron powder X-ray diffraction measurement at room temperature. The crystal structure was refined by Rietveld method and the charge density distribution was analyzed by maximum entropy method (MEM). The Li 2 NH crystal is anti-fluorite type structure (space group Fm3-bar m) consisting of Li and NH. Hydrogen atom occupies randomly the 48h (Wyckoff notation) sites around N atom. The refined lattice constant is a=5.0742(2)A. The charge density distribution around NH anion in Li 2 NH is almost spherical. The number of electrons within the sphere around the Li and NH is estimated from the obtained charge density distribution. As the result, the ionic charge is expressed as [Li 0.99+ ] 2 [NH] 1.21- . Therefore, it is confirmed experimentally that Li 2 NH is ionically bonded

  7. Toward a global description of nuclear charge radii: Exploring the Fayans energy density functional

    Science.gov (United States)

    Reinhard, P.-G.; Nazarewicz, W.

    2017-06-01

    Background: Binding energies and charge radii are fundamental properties of atomic nuclei. When inspecting their particle-number dependence, both quantities exhibit pronounced odd-even staggering. While the odd-even effect in binding energy can be attributed to nucleonic pairing, the origin of staggering in charge radii is less straightforward to ascertain. Purpose: In this work, we study the odd-even effect in binding energies and charge radii, and systematic behavior of differential radii, to identify the underlying components of the effective nuclear interaction. Method: We apply nuclear density functional theory using a family of Fayans and Skyrme energy density functionals fitted to similar data sets but using different optimization protocols. We inspect various correlations between differential charge radii, odd-even staggering in energies and radii, and nuclear matter properties. The Fayans functional is assumed to be in the local FaNDF0 form. Detailed analysis is carried out for medium-mass and heavy semimagic nuclei with a particular focus on the Ca chain. Results: By making the surface and pairing terms dependent on density gradients, the Fayans functional offers the superb simultaneous description of odd-even staggering effects in energies and charge radii. Conversely, when the data on differential radii are added to the pool of fit observables, the coupling constants determining the strengths of the gradient terms of Fayans functional are increased by orders of magnitude. The Skyrme functional optimized in this work with the generalized Fayans pairing term offers results of similar quality. We quantify these findings by performing correlation analysis based on the statistical linear regression technique. The nuclear matter parameters characterizing Fayans and Skyrme functionals optimized to similar data sets are fairly close. Conclusion: The Fayans paring functional, with its generalized density dependence, significantly improves the description of

  8. Transition from Fowler-Nordheim field emission to space charge limited current density

    International Nuclear Information System (INIS)

    Feng, Y.; Verboncoeur, J. P.

    2006-01-01

    The Fowler-Nordheim law gives the current density extracted from a surface under strong fields, by treating the emission of electrons from a metal-vacuum interface in the presence of an electric field normal to the surface as a quantum mechanical tunneling process. Child's law predicts the maximum transmitted current density by considering the space charge effect. When the electric field becomes high enough, the emitted current density will be limited by Child's law. This work analyzes the transition of the transmitted current density from the Fowler-Nordheim law to Child's law space charge limit using a one-dimensional particle-in-cell code. Also studied is the response of the emission model to strong electric fields near the transition point. We find the transition without geometrical effort is smooth and much slower than reported previously [J. P. Barbour, W. W. Dolan, J. K. Trolan, E. E. Martin, and W. P. Dyke, Phys. Rev. 92, 45 (1953)]. We analyze the effects of geometric field enhancement and work function on the transition. Using our previous model for effective field enhancement [Y. Feng and J. P. Verboncoeur, Phys. Plasmas 12, 103301 (2005)], we find the geometric effect dominates, and enhancement β>10 can accelerate the approach to the space charge limit at practical electric field. A damped oscillation near the local plasma frequency is observed in the transient system response

  9. Donation and back-donation analyzed through a charge transfer model based on density functional theory.

    Science.gov (United States)

    Orozco-Valencia, Ulises; Gázquez, José L; Vela, Alberto

    2017-07-01

    The net charge transfer process that occurs between two species, A and B, interacting with each other, may be decomposed into two processes: one in which A receives charge from B, which can be identified as the electrophilic channel for A or the nucleophilic channel for B, and a second in which A donates charge to B, which can be identified as the nucleophilic channel for A or the electrophilic channel for B. By determining the amount of charge associated with both processes through the minimization of the interaction energy associated with each case, the expressions for the amount of charge involved in each case can be expressed in terms of the directional chemical potentials and the hardnesses of the interacting species. The correlation between the charges obtained for the interaction between phosphine ligands of the type PRR'R'' and Ni, and the A 1 carbonyl stretching frequency provides support for their interpretation as measures of the electrophilicity and nucleophilicity of a chemical species, and, at the same time, allows one to describe the donation and back-donation processes in terms of the density functional theory of chemical reactivity.

  10. Chemical bonding in view of electron charge density and kinetic energy density descriptors.

    Science.gov (United States)

    Jacobsen, Heiko

    2009-05-01

    Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is reinvestigated. It is shown that within the framework of QTAIM, the question as to whether for a given molecule two atoms are bonded or not is only meaningful in the context of a well-defined reference geometry. The localized-orbital-locator (LOL) is applied to map out patterns in covalent bonding interaction, and produces results that are consistent for a variety of reference geometries. Furthermore, LOL interpretations are in accord with NBO/NRT, and assist in an interpretation in terms of covalent bonding. 2008 Wiley Periodicals, Inc.

  11. Influence of the overall charge and local charge density of pectin on the complex formation between pectin and beta-lactoglobulin

    NARCIS (Netherlands)

    Sperber, B.L.H.M.; Schols, H.A.; Cohen Stuart, M.A.; Norde, W.; Voragen, A.G.J.

    2009-01-01

    The complex formation between ß-lactoglobulin (ß-lg) and pectin is studied using pectins with different physicochemical characteristics. Pectin allows for the control of both the overall charge by degree of methyl-esterification as well as local charge density by the degree of blockiness. Varying

  12. Influence of the overall charge and local charge density of pectin on the complex formation between pectin and beta-lactoglobulin

    NARCIS (Netherlands)

    Sperber, Bram L. H. M.; Schols, Henk A.; Stuart, Martien A. Cohen; Norde, Willem; Voragen, Alphons G. J.

    The complex formation between beta-lactoglobulin (beta-lg) and pectin is studied using pectins with different physicochemical characteristics. Pectin allows for the control of both the overall charge by degree of methyl-esterification as well as local charge density by the degree of blockiness.

  13. Changes of the density of charge on mineral soil components by adsorption of some metabolites of hydrocarbons

    OpenAIRE

    Hollederer, Gorch; Calmano, Wolfgang

    1994-01-01

    The adsorption on clay minerals and sesquioxides of some polar degradation products of naphthalene and alkylated benzenes was investigated by 14C-tracer experiments. Surface charge density of the solids was measured by titration with sodium polyethene sulfonate and polydiallyl-dimethyl-ammonium chloride at pH-range 4-7. Adsorption of organic anions reduced the positive charge on oxidic surfaces and increased the density of negative charge on clay minerals, respectively. The increase of the de...

  14. A Small Angle Neutron Scattering Study of Cylindrical nanoparticle with Controlled Surface Charge Density

    International Nuclear Information System (INIS)

    Kim, Tae-Hwan; Choi, Sung-Min; Kline, Steven R.

    2007-01-01

    Surfactant molecules in aqueous solution self assemble into various micellar structures such as sphere, rod, vesicle, and lamellar, above critical micelle concentration (CMC). Self-assembled surfactants systems, therefore, have been very popular as templates for preparing various nanostructured materials. Due to their dynamic nature, however, micellar structures are very susceptible to solution conditions such as temperature, concentration, pH and pressure, limiting their applications. In this study, we have developed rigid rod-like nanoparticles with controlled surface charge density by the free radical polymerization of cationic surfactants with polymerizable counterions, cetyltrimethylammonium 4- vinylbenzoate (CTVB), with varying concentration of sodium styrenesulfonate (NaSS). The structure and surface charge density of the nanoparticles were characterized by small angle neutron scattering (SANS) and zeta potential measurements

  15. Flocculation of Clay Colloids Induced by Model Polyelectrolytes: Effects of Relative Charge Density and Size.

    Science.gov (United States)

    Sakhawoth, Yasine; Michot, Laurent J; Levitz, Pierre; Malikova, Natalie

    2017-10-06

    Flocculation and its tuning are of utmost importance in the optimization of several industrial protocols in areas such as purification of waste water and civil engineering. Herein, we studied the polyelectrolyte-induced flocculation of clay colloids on a model system consisting of purified clay colloids of well-defined size fractions and ionene polyelectrolytes presenting regular and tunable chain charge density. To characterize ionene-induced clay flocculation, we turned to the combination of light absorbance (turbidity) and ζ-potential measurements, as well as adsorption isotherms. Our model system allowed us to identify the exact ratio of positive and negative charges in clay-ionene mixtures, the (c+/c-) ratio. For all samples studied, the onset of efficient flocculation occurred consistently at c+/c- ratios significantly below 1, which indicated the formation of highly ionene-deficient aggregates. At the same time, the ζ-potential measurements indicated an apparent zero charge on such aggregates. Thus, the ζ-potential values could not provide the stoichiometry inside the clay-ionene aggregates. The early onset of flocculation in clay-ionene mixtures is reminiscent of the behavior of multivalent salts and contrasts that of monovalent salts, for which a large excess amount of ions is necessary to achieve flocculation. Clear differences in the flocculation behavior are visible as a function of the ionene charge density, which governs the conformation of the ionene chains on the clay surface. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Novel charge density wave transition in crystals of R 5 Ir 4 Si 10

    Indian Academy of Sciences (India)

    We review the observation of novel charge density wave (CDW) transitions in ternary R5Ir4Si10 compounds. A high quality single crystal of Lu5Ir4Si10 shows the formation of a commensurate CDW along -axis below 80 K in the (ℎ, 0, ) plane that coexists with BCS type superconductivity below 3.9 K. However, in a single ...

  17. The scaling dimension of low lying Dirac eigenmodes and of the topological charge density

    CERN Document Server

    Aubin, C.; Gottlieb, Steven; Gregory, E.B.; Heller, Urs M.; Hetrick, J.E.; Osborn, J.; Sugar, R.; Toussaint, D.; de Forcrand, Ph.; Jahn, Oliver

    2005-01-01

    As a quantitative measure of localization, the inverse participation ratio of low lying Dirac eigenmodes and topological charge density is calculated on quenched lattices over a wide range of lattice spacings and volumes. Since different topological objects (instantons, vortices, monopoles, and artifacts) have different co-dimension, scaling analysis provides information on the amount of each present and their correlation with the localization of low lying eigenmodes.

  18. Improving energy conversion efficiency for triboelectric nanogenerator with capacitor structure by maximizing surface charge density.

    Science.gov (United States)

    He, Xianming; Guo, Hengyu; Yue, Xule; Gao, Jun; Xi, Yi; Hu, Chenguo

    2015-02-07

    Nanogenerators with capacitor structures based on piezoelectricity, pyroelectricity, triboelectricity and electrostatic induction have been extensively investigated. Although the electron flow on electrodes is well understood, the maximum efficiency-dependent structure design is not clearly known. In this paper, a clear understanding of triboelectric generators with capacitor structures is presented by the investigation of polydimethylsiloxane-based composite film nanogenerators, indicating that the generator, in fact, acts as both an energy storage and output device. Maximum energy storage and output depend on the maximum charge density on the dielectric polymer surface, which is determined by the capacitance of the device. The effective thickness of polydimethylsiloxane can be greatly reduced by mixing a suitable amount of conductive nanoparticles into the polymer, through which the charge density on the polymer surface can be greatly increased. This finding can be applied to all the triboelectric nanogenerators with capacitor structures, and it provides an important guide to the structural design for nanogenerators. It is demonstrated that graphite particles with sizes of 20-40 nm and 3.0% mass mixed into the polydimethylsiloxane can reduce 34.68% of the effective thickness of the dielectric film and increase the surface charges by 111.27% on the dielectric film. The output power density of the triboelectric nanogenerator with the composite polydimethylsiloxane film is 3.7 W m(-2), which is 2.6 times as much as that of the pure polydimethylsiloxane film.

  19. New Density Estimation Methods for Charged Particle Beams With Applications to Microbunching Instability

    Energy Technology Data Exchange (ETDEWEB)

    Balsa Terzic, Gabriele Bassi

    2011-07-01

    In this paper we discuss representations of charge particle densities in particle-in-cell (PIC) simulations, analyze the sources and profiles of the intrinsic numerical noise, and present efficient methods for their removal. We devise two alternative estimation methods for charged particle distribution which represent significant improvement over the Monte Carlo cosine expansion used in the 2d code of Bassi, designed to simulate coherent synchrotron radiation (CSR) in charged particle beams. The improvement is achieved by employing an alternative beam density estimation to the Monte Carlo cosine expansion. The representation is first binned onto a finite grid, after which two grid-based methods are employed to approximate particle distributions: (i) truncated fast cosine transform (TFCT); and (ii) thresholded wavelet transform (TWT). We demonstrate that these alternative methods represent a staggering upgrade over the original Monte Carlo cosine expansion in terms of efficiency, while the TWT approximation also provides an appreciable improvement in accuracy. The improvement in accuracy comes from a judicious removal of the numerical noise enabled by the wavelet formulation. The TWT method is then integrated into Bassi's CSR code, and benchmarked against the original version. We show that the new density estimation method provides a superior performance in terms of efficiency and spatial resolution, thus enabling high-fidelity simulations of CSR effects, including microbunching instability.

  20. Molecular Weight and Charge Density Effects of Guanidinylated Biodegradable Polycarbonates on Antimicrobial Activity and Selectivity.

    Science.gov (United States)

    Hae Cho, Chloe A; Liang, Chao; Perera, Janesha; Liu, Jie; Varnava, Kyriakos G; Sarojini, Vijayalekshmi; Cooney, Ralph P; McGillivray, Duncan J; Brimble, Margaret A; Swift, Simon; Jin, Jianyong

    2017-11-21

    Six guanidine functionalized aliphatic biodegradable polycarbonates with varying molecular weights and charge densities were synthesized via postsynthesis modification of alkyne containing polycarbonates using Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry. The concept of passive diluting group was to modify the cationic charge density of the polycarbonate without changing its hydrophilicity. Within the molecular weight range from 8000 to 30000 g mol -1 , these guanidine polycarbonates exhibited broad-spectrum biocidal activity with low toxicity to red blood cells (RBCs). The lowest molecular weight homopolymer sample (PG-8k-100) showed the best antimicrobial activity (MIC = 40 μg/mL against Escherichia coli and MIC = 20 μg/mL against Staphylococcus epidermidis) and least RBC toxicity (0.6% hemolysis at MIC). Within the three guanidine charge densities from 20% to 70%, the low to medium dilution samples (PG-8k-7030 and PG-8k-5050) had no obvious loss in antimicrobial activities compared to the nondiluted control sample PG-8k-100. However, upon further dilution, PG-8k-2080 gave the lowest antimicrobial activity.

  1. Metallicity at interphase boundaries due to polar catastrophe induced by charge density discontinuity

    KAUST Repository

    Albar, Arwa

    2018-02-09

    The electronic properties of interphase boundaries are of basic importance for most materials, particularly when those properties deviate strongly from the bulk behavior. We introduce a mechanism that can result in metallicity at stoichiometric interphase boundaries between semiconductors based on the idea of polar catastrophe, which is usually considered only in the context of heterostructures. To this end, we perform ab initio calculations within density functional theory to investigate the electronic states at stoichiometric SnO/SnO2 (110) interphase boundaries. In this system, one would not expect polar catastrophe to have a role according to state-of-the-art theory because the interface lacks formal charge discontinuity. However, we observe the formation of a hole gas between the semiconductors SnO and SnO2. To explain these findings, we provide a generalized theory based on the idea that the charge density discontinuity between SnO and SnO2, a consequence of lattice mismatch, drives a polar catastrophe scenario. As a result, SnO/SnO2 (110) interphase boundaries can develop metallicity depending on the grain size. The concept of metallicity due to polar catastrophe induced by charge density discontinuity is of general validity and applies to many interphase boundaries with lattice mismatch.

  2. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  3. Sequential tentacle grafting and charge modification for enhancing charge density of mono-sized beads for facilitated protein refolding and purification from inclusion bodies.

    Science.gov (United States)

    Dong, Xiao-Yan; Chen, Ran; Yang, Chun-Yan; Sun, Yan

    2014-06-20

    We have previously found that addition of like-charged media in a refolding solution can greatly enhance the refolding of pure proteins by suppressing protein aggregation. Herein, negatively charged mono-sized microspheres with sulfonic groups were fabricated to explore the facilitating effect of like-charged media on the refolding of enhanced green fluorescent protein (EGFP) expressed as inclusion bodies (IBs). A sequential polymer-tentacle grafting and sulfonate modification strategy was developed to increase the charge density of mono-sized poly(glycidyl methacrylate) (pGMA) beads (2.4μm). Namely, GMA was first grafted onto the beads by grafting polymerization to form poly(GMA) tentacles on the pGMA beads, and then the epoxy groups on the tentacles were converted into sulfonic groups by modification with sodium sulfite. By this fabrication strategy, the charge density of the beads reached 793μmol/g, about 2.8 times higher than that modified without prior grafting of the pGMA beads (285μmol/g). The negatively charged beads of different charge densities were used for facilitating the refolding of like-charged EGFP from IBs. The refolding yield as well as refolding rate increased with increasing charge density. The anti-aggregation effects of urea and like-charged microspheres were synergetic. In addition, partial purification of EGFP was achieved because the ion-exchange adsorption led to 52% removal of positively charged contaminant proteins in the refolded solution. Finally, reusability of the tentacle beads was demonstrated by repetitive EGFP refolding and recovery cycles. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. New bounds for the atomic charge and momentum densities at the origin

    Energy Technology Data Exchange (ETDEWEB)

    Angulo, J.C.; Dehesa, J.S.; Galvez, F.J. (Granada Univ. (Spain). Dept. de Fisica Moderna)

    1991-02-01

    The 'Stieltjes moment problem' technique together with the positivity and monotonic decreasing properties of the electronic density of an atom is used to find new and more accurate lower bounds for the charge density at the nucleus and the momentum density at the origin, in terms of radial and momentum expectation values, respectively. Bounds depending on two and three expectation values are given explicitly and a Hartree-Fock study of their quality is carried out. Also, the behavior of the new bounds at large Z's is discussed. The Stieltjes technique allows to find lower bounds of better accuracy by including expectation values of higher order. (orig.).

  5. Azimuthal asymmetries of the charged particle densities in EAS in the range of KASCADE-Grande

    International Nuclear Information System (INIS)

    Sima, O.; Morariu, C.; Manailescu, C.; Rebel, H.; Haungs, A.

    2009-03-01

    The reconstruction of Extended Air Showers (EAS) observed by ground level particle detectors is based on the characteristics of observables like particle lateral density (PLD), arrival time signals etc. Lateral densities, inferred from detector data, are usually parameterized by applying various lateral distribution functions (LDF). The LDFs are used in turn for evaluating quantities like the total number of particles, the density at particular radial distances. Typical expressions for LDFs anticipate azimuthal symmetry of the density around the shower axis. The deviations of the particle lateral density from this assumption are smoothed out in the case of compact arrays like KASCADE, but not in the case of arrays like Grande, which only sample a smaller part of the azimuthal variation. In this report we discuss the origin of the asymmetry: geometric, attenuation and geomagnetic effects. Geometric effects occur in the case of inclined showers, due to the fact that the observations are made in a plane different from the intrinsic shower plane. Hence the projection procedure from the observational plane to the relevant normal shower plane plays a significant role. Attenuation effects arise from the differences between the distances travelled by particles that reach the ground at the same radial coordinate but with various azimuthal positions in the case of inclined showers. The influence of the geomagnetic field distorts additionally the charged particle distributions in a way specific to the geomagnetic location. Based on dedicated CORSIKA simulations we have evaluated the magnitude of the effects. Focused to geometric and attenuation effects, procedures for minimizing the effects of the azimuthal asymmetry of lateral density in the intrinsic shower plane were developed. The consequences of the reconstruction of the charge particle sizes determined with the Grande array are also discussed and a procedure for practical application of restoring the azimuthal symmetry

  6. Breakdown of the Fermi arcs in underdoped cuprates by incommensurate charge density waves

    Science.gov (United States)

    Gor'kov, L. P.

    2014-11-01

    Interactions between the coherent excitations on disconnected arcs along a "bare" Fermi surface (the socalled Fermi arcs FAs) seen by angle-resolved photo emission spectroscopy (ARPES) in several underdoped (UD) cuprates and incommensurate charge density wave (IC CDW) ordering at lowering of the temperature have been studied. The carriers on FAs scatter strongly on the short-wavelength potential of CDW. The large momentum transfer relates FAs with the electronic states lying deeply under the chemical potential thus involving into consideration the Fermi liquid interactions. At low temperatures IC CDW may fully destroy low lying excitations on the Fermi arcs, leaving electrons on the pocket at the Γ point as the only charged elementary excitations in the CDW phase in UD cuprates. The results infer competition between superconducting and CDW order parameters.

  7. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  8. Three-dimensional biofilm properties on dental bonding agent with varying quaternary ammonium charge densities.

    Science.gov (United States)

    Zhou, Han; Liu, Huaibing; Weir, Michael D; Reynolds, Mark A; Zhang, Ke; Xu, Hockin H K

    2016-10-01

    Tooth-restoration interfaces are the weak link with secondary caries causing restoration failure. The objectives of this study were to develop an antimicrobial bonding agent with dimethylaminododecyl methacrylate (DMAHDM), and investigate the effects of quaternary amine charge density on three-dimensional (3D) biofilms on dental resin for the first time. DMAHDM was synthesized and incorporated into Scotchbond Multi-Purpose bonding agent at mass fractions of 0% (control), 2.5%, 5%, 7.5% and 10%. Streptococcus mutans bacteria were inoculated on the polymerized resin and cultured for two days to form biofilms. Confocal laser scanning microscopy was used to measure biofilm thickness, live and dead biofilm volumes, and live bacteria percentage in 3D biofilm vs. distance from resin surface. Charge density of the resin had a significant effect on the antibacterial efficacy (pBiofilms on control resin had the greatest thicknesses. Biofilm thickness and live biofilm volume decreased with increasing surface charge density (pbiofilm thickness (pbiofilm was dead and the percentage of live bacteria was nearly 0% throughout the biofilm thickness. Adding new antibacterial monomer DMAHDM into dental bonding agent yielded a strong antimicrobial activity, substantially decreasing the 3D biofilm thickness, live biofilm volume, and percentage of live bacteria on cross-sections through the biofilm thickness. Novel DMAHDM-containing bonding agent with capability of inhibiting 3D biofilms is promising for a wide range of dental restorative and preventive applications to inhibit biofilms at the tooth-restoration margins and prevent secondary caries. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Origin of the charge density wave in 1T-TiSe2

    KAUST Repository

    Zhu, Zhiyong

    2012-06-27

    All-electron ab initio calculations are used to study the microscopic origin of the charge density wave (CDW) in 1T-TiSe2. A purely electronic picture is ruled out as a possible scenario, indicating that the CDW transition in the present system is merely a structural phase transition. The CDW instability is the result of a symmetry lowering by electron correlations occurring with electron localization. Suppression of the CDW in pressurized and in Cu-intercalated 1T-TiSe2 is explained by a delocalization of the electrons, which weakens the correlations and counteracts the symmetry lowering.

  10. Nonuniversal critical behaviour in a model for charge density wave dynamics

    International Nuclear Information System (INIS)

    Ritala, R.K.; Hertz, J.A.

    1986-02-01

    We have studied short range fluctuations around the infinite-range model of charge density wave (CDW) dynamics. We find that the inhomogeneity of the local field, which is neglected in the infinite-range approximation has a dramatic effect on the transition. In the Bethe approximation the critical behaviour is nonuniversal. In particular, the current exponent is ζ = 3/2 log(z-1)/[log(z)]+log(1+f/J)], where z is the number of neighbors, f the pinning strength, and J the elastic coupling. (orig.)

  11. Time-of-flight spectra for mapping of charge density of ionsproduced by laser

    Czech Academy of Sciences Publication Activity Database

    Krása, Josef; Parys, P.; Velardy, L.; Velyhan, Andriy; Ryc, L.; Delle Side, D.; Nassisi, V.

    2014-01-01

    Roč. 32, č. 1 (2014), s. 15-20 ISSN 0263-0346 R&D Projects: GA MŠk EE2.3.20.0279; GA ČR GAP205/12/0454 Grant - others:LaserZdroj (OP VK 3)(XE) CZ.1.07/2.3.00/20.0279 Institutional support: RVO:68378271 Keywords : laser ion sources * map of ion charge density * ion expansion * modeling Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.295, year: 2014

  12. Metal-charge density wave coexistence in TTF[Ni(dmit){sub 2}]{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kaddour, W. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Laboratoire de Physique de la Matière Condensée, Campus Universitaire, Université de Tunis El-Manar, Tunis 2092 (Tunisia); Auban-Senzier, P.; Raffy, H.; Monteverde, M.; Pouget, J.-P. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Pasquier, C.R., E-mail: pasquier@lps.u-psud.fr [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Alemany, P. [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Canadell, E. [Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra (Spain); Valade, L. [Laboratoire de Chimie de Coordination, Route de Narbonne F-31077 Toulouse (France)

    2015-03-01

    We have established a new pressure–temperature phase diagram of TTF[Ni(dmit){sub 2}]{sub 2} based on longitudinal and transverse resistivity measurements under pressure up to 30 kbar. We were able to identify three different charge density wave (CDW) states which all coexist with a metallic state in a wide temperature range and superconductivity at the lowest temperatures. At low pressure, two successive CDW transitions have been clearly identified. These two transitions merge into a single one at 12 kbar. A maximum of this unique CDW transition temperature is observed at 19 kbar.

  13. Surface-plasmon dispersion relation for the inhomogeneous charge-density medium

    International Nuclear Information System (INIS)

    Harsh, O.K.; Agarwal, B.K.

    1989-01-01

    The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines

  14. Quantum phase slips in charge-density waves: the system-size effect

    Science.gov (United States)

    Hatakenaka, Noriyuki; Shiobara, Masato; Matsuda, Ken-Ichi; Tanda, Satoshi

    1998-03-01

    We present a phenomenological model for quantum phase slips of charge-density waves that takes into account the system-size effect. The process of quantum nucleation leading to the phase slip changes from vortex pair to vortex ring creations as the external electric field increases, which is analogous to the evolution of a ripple in a rectanglar water tank. The clossover field is determined by the system size. The present model describes a number of features observed in the nonohmic conductivity in TsS3 at low temperature.

  15. Dimensional crossover of quantum nucleation processes in charge-density-wave phase slips

    Science.gov (United States)

    Hatakenaka, Noriyuki; Shiobara, Masato; Matsuda, Ken-Ichi; Tanda, Satoshi

    1998-01-01

    A phenomenological model for quantum phase slips of charge-density waves that takes into account the system-size effect is presented. The process of quantum nucleation leading to the phase slip changes from vortex-pair to vortex-ring creations as the external electric field increases, which is analogous to the evolution of a ripple in a rectangular water tank. The crossover field is determined by the system size. The present model describes a number of features observed in the nonohmic conductivity in TaS3 at low temperature.

  16. Improved lower bounds for the atomic charge density at the nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Galvez, F.J.; Porras, I.; Angulo, J.C.; Dehesa, J.S.

    1988-06-14

    Lower bounds F(..cap alpha.., ..beta..) for the electronic charge density of atomic systems with N electrons at the nucleus, p (O), are given by means of any two radial expectation values and , for real ..cap alpha.. not ..beta.., in a rigorous and simple way. In particular, p (O) greater than or equal to (N/8 ..pi..)/sup 2// which improves bounds found previously. An interesting property of these bounds is that they are equal to the exact value p(O) in the limit ..beta.. -> -3 for any fixed ..cap alpha.. value.

  17. Effect of the surface charge density on the creep of copper

    Science.gov (United States)

    Zhmakin, Yu. D.; Rybyanets, V. A.; Nevskii, S. A.; Gromov, V. E.

    2015-01-01

    The creep of polycrystalline copper under the action of high and low electric potentials is studied. At potentials of ±4 kV and ±5 V, the steady-state creep rate decreases, and the effect in the former case is weaker than in the latter by a factor of 2.5. This difference is caused by the fact that the charge density in the sample-capacitor bank system at the high electric potentials is lower than at the low potentials.

  18. Polysaccharide charge density regulating protein adsorption to air/water interfaces by protein/polysaccharide complex formation

    NARCIS (Netherlands)

    Ganzevles, R.A.; Kosters, H.; Vliet, T. van; Stuart, M.A.C.; Jongh, H.H.J. de

    2007-01-01

    Because the formation of protein/polysaccharide complexes is dominated by electrostatic interaction, polysaccharide charge density is expected to play a major role in the adsorption behavior of the complexes. In this study, pullulan (a non-charged polysaccharide) carboxylated to four different

  19. Random distribution of background charge density for numerical simulation of discharge inception

    International Nuclear Information System (INIS)

    Grange, F.; Loiseau, J.F.; Spyrou, N.

    1998-01-01

    The models of electric streamers based on a uniform background density of electrons may appear not to be physical, as the number of electrons in the small active region located in the vicinity of the electrode tip under regular conditions can be less than one. To avoid this, the electron background is modelled by a random density distribution such that, after a certain time lag, at least one electron is present in the grid close to the point electrode. The modelling performed shows that the streamer inception is not very sensitive to the initial location of the charged particles; the ionizing front, however, may be delayed by several tens of nanoseconds, depending on the way the electron has to drift before reaching the anode. (J.U.)

  20. Transverse charge and magnetization densities: Improved chiral predictions down to b=1 fms

    Energy Technology Data Exchange (ETDEWEB)

    Alarcon, Jose Manuel [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Hiller Blin, Astrid N. [Johannes Gutenberg Univ., Mainz (Germany); Vicente Vacas, Manuel J. [Spanish National Research Council (CSIC), Valencia (Spain). Univ. of Valencia (UV), Inst. de Fisica Corpuscular; Weiss, Christian [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2018-03-01

    The transverse charge and magnetization densities provide insight into the nucleon’s inner structure. In the periphery, the isovector components are clearly dominant, and can be computed in a model-independent way by means of a combination of chiral effective field theory (cEFT) and dispersion analysis. With a novel N=D method, we incorporate the pion electromagnetic formfactor data into the cEFT calculation, thus taking into account the pion-rescattering effects and r-meson pole. As a consequence, we are able to reliably compute the densities down to distances b1 fm, therefore achieving a dramatic improvement of the results compared to traditional cEFT calculations, while remaining predictive and having controlled uncertainties.

  1. Dimensional Crossover in a Charge Density Wave Material Probed by Angle-Resolved Photoemission Spectroscopy

    Science.gov (United States)

    Nicholson, C. W.; Berthod, C.; Puppin, M.; Berger, H.; Wolf, M.; Hoesch, M.; Monney, C.

    2017-05-01

    High-resolution angle-resolved photoemission spectroscopy data reveal evidence of a crossover from one-dimensional (1D) to three-dimensional (3D) behavior in the prototypical charge density wave (CDW) material NbSe3 . In the low-temperature 3D regime, gaps in the electronic structure are observed due to two incommensurate CDWs, in agreement with x-ray diffraction and electronic-structure calculations. At higher temperatures we observe a spectral weight depletion that approaches the power-law behavior expected in one dimension. From the warping of the quasi-1D Fermi surface at low temperatures, we extract the energy scale of the dimensional crossover. This is corroborated by a detailed analysis of the density of states, which reveals a change in dimensional behavior dependent on binding energy. Our results offer an important insight into the dimensionality of excitations in quasi-1D materials.

  2. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    Science.gov (United States)

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  3. Electromigration and charge carrier density versus free lattice volume effects in doped zirconia ceramics

    Energy Technology Data Exchange (ETDEWEB)

    M' Peko, Jean-Claude; Paz, Fernando Y.; Mir, Mirta; De Souza, Milton F. [Institute of Physics at Sao Carlos (IFSC), University of Sao Paulo (USP), P.O. Box 369, CEP 13560-970 Sao Carlos/SP (Brazil)

    2004-11-01

    Ion conducting yttria-stabilized tetragonal zirconia (3YTZ) and Er{sup 3+}-, Nd{sup 3+}- and Hf{sup 4+}-doped 3YTZ ceramics were prepared and studied in this work. It is noted that dopant-induced structural effects, associated with free lattice volume for bulk conduction, may still be dominant over charge carrier density effects, even for variations of these latter by up to about 30%. In that way, dopant ion size-modified charge (oxygen vacancy) mobility varied to about +25% in Er{sup 3+}-doped 3YTZ and about -45% in Nd{sup 3+}-doped 3YTZ, with respect to original 3YTZ. Meanwhile, the behavior of grain-boundary electrical properties appeared to adapt well with Frenkel's space-charge model. In both bulk and grain-boundary cases, the electrical response of Hf{sup 4+}-doped 3YTZ remained close to that from 3YTZ, a fact which is also discussed in this report. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Controlling surface charge and spin density oscillations by Dirac plasmon interaction in thin topological insulators

    Science.gov (United States)

    Poyli, M. Ameen; Hrtoň, M.; Nechaev, I. A.; Nikitin, A. Y.; Echenique, P. M.; Silkin, V. M.; Aizpurua, J.; Esteban, R.

    2018-03-01

    Thin topological insulator (TI) films support optical and acoustic plasmonic modes characterized by effective net charge or net spin density, respectively. We combine many-body and electromagnetic calculations to study how these modes can be selectively excited at films and nanodisks at infrared and THz frequencies. We first discuss the excitation of propagating plasmons in a thin film by a point dipolar source. We emphasize how changing the distance between the dipolar source and the film allows us to control the relative strength of the acoustic and optical plasmons and thus to excite net-spin or net-charge waves on demand. The acoustic and optical modes in a nanodisk structure can be efficiently tuned by changing the size of the disk or by applying electrostatic gating. Furthermore, these modes can be confined to regions of dimensions much smaller than the wavelength. The control of the excitation of acoustic and optical modes indicates that thin topological insulators are a promising system to manipulate the spin and charge properties of the plasmonic response, with potential applications in fast, compact, and electrically-controlled spintronic devices.

  5. Density functional study of the interaction of carbon monoxide with small neutral and charged silver clusters.

    Science.gov (United States)

    Zhou, Jia; Li, Zhen-Hua; Wang, Wen-Ning; Fan, Kang-Nian

    2006-06-08

    CO adsorption on small neutral, anionic, and cationic silver clusters Ag(n) (n = 1-7) has been studied with use of the PW91PW91 density functional theory (DFT) method. The adsorption of CO on-top site, among various possible sites, is energetically preferred irrespective of the charge state of the silver cluster. The cationic silver clusters generally have a greater tendency to adsorb CO than the anionic and neutral silver ones, except for n = 3 and 4, and the binding energies reach a local minimum at n = 5. The binding energies on the neutral clusters, instead, reach a local maximum at n = 3, which is about 0.87 eV, probably large enough to be captured in the experiments. Binding of CO to the silver clusters is generally weaker than that to the copper and gold counterparts at the same size and charge state. This is due to the weaker orbital interaction between silver and CO, which is caused by the larger atomic radius of the silver atom. In contrast, Au atoms with a larger nuclear charge but a similar atomic radius to silver owing to the lanthanide contraction are able to have a stronger interaction with CO.

  6. Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

    KAUST Repository

    Van Regemorter, Tanguy

    2012-09-15

    In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

  7. Charge and spin density in s-stable rare earth intermetallic compounds

    International Nuclear Information System (INIS)

    Graaf, H. de.

    1982-01-01

    This thesis deals with a study of the electronic structure of rare earth intermetallic compounds, in particular the electronic charge and spin density distribution. These are closely related to the properties of the rare earth ions, which carry the partly filled 4f shell. In chapter 1 a survey of the theory of hyperfine interaction as far as it has a bearing on the Moessbauer effect of 155 Gd and 151 Eu is given. Also some details of the Moessbauer spectra, which have practical importance are discussed. In chapter 2 the experimental set-up is described. Special attention is paid to the gamma radiation source and gamma detection requirements. In chapter 3 the author introduces the theoretical framework which will be used to interpret the measurements. In chapter 4 the results of the 155 Gd Moessbauer measurements are presented. Also it is discussed how the result can be understood in terms of the charge and spin density in rare earth intermetallic compounds. In order to lend support to the picture emerging from the previous chapter, in chapter 5 the conduction electron band structure of some representative Gd intermetallics is computed with an approximate semi-empirical LCAO method. The results are compared with those from chapter 4. Finally, in chapter 6, the 151 Eu resonance is used to investigate the temperature dependence of the hyperfine field and line width in the Eu intermetallic compounds Eu 2 Mg 17 and EuMg 5 . (Auth.)

  8. Superficial Collagen Fibril Modulus and Pericellular Fixed Charge Density Modulate Chondrocyte Volumetric Behaviour in Early Osteoarthritis

    Directory of Open Access Journals (Sweden)

    Petri Tanska

    2013-01-01

    Full Text Available The aim of this study was to investigate if the experimentally detected altered chondrocyte volumetric behavior in early osteoarthritis can be explained by changes in the extracellular and pericellular matrix properties of cartilage. Based on our own experimental tests and the literature, the structural and mechanical parameters for normal and osteoarthritic cartilage were implemented into a multiscale fibril-reinforced poroelastic swelling model. Model simulations were compared with experimentally observed cell volume changes in mechanically loaded cartilage, obtained from anterior cruciate ligament transected rabbit knees. We found that the cell volume increased by 7% in the osteoarthritic cartilage model following mechanical loading of the tissue. In contrast, the cell volume decreased by 4% in normal cartilage model. These findings were consistent with the experimental results. Increased local transversal tissue strain due to the reduced collagen fibril stiffness accompanied with the reduced fixed charge density of the pericellular matrix could increase the cell volume up to 12%. These findings suggest that the increase in the cell volume in mechanically loaded osteoarthritic cartilage is primarily explained by the reduction in the pericellular fixed charge density, while the superficial collagen fibril stiffness is suggested to contribute secondarily to the cell volume behavior.

  9. Charged-particle pseudorapidity density in proton-proton collisions at $\\mathbf{\\sqrt{\\textit s}}$ = 13 TeV

    CERN Document Server

    2015-01-01

    The pseudorapidity density of charged particles produced in proton-proton collisions at the LHC is measured at the centre-of-mass energy $\\sqrt{s} = 13$ TeV with the ALICE detector. We report on the measurement performed in the central pseudorapidity region for inelastic events (INEL) and events with at least one charged particle in $\\left|\\eta\\right| $0). The pseudorapidity density of charged particles produced in the pseudorapidity region $\\left|\\eta\\right| $0 events, respectively. The results are compared with calculations from Monte Carlo models commonly used at the LHC.

  10. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Duignan, Timothy T. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Baer, Marcel D. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Schenter, Gregory K. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Mundy, Chistopher J. [Department of Chemical Engineering, University of Washington, Seattle, Washington 98185, USA

    2017-10-28

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for coarse grained models of electrolyte solution. Here, we provide rigorous definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across

  11. The role of surface charge density in cationic liposome-promoted dendritic cell maturation and vaccine-induced immune responses

    Science.gov (United States)

    Ma, Yifan; Zhuang, Yan; Xie, Xiaofang; Wang, Ce; Wang, Fei; Zhou, Dongmei; Zeng, Jianqiang; Cai, Lintao

    2011-05-01

    Cationic liposomes have emerged as a novel adjuvant and antigen delivery system to enhance vaccine efficacy. However, the role of surface charge density in cationic liposome-regulated immune responses has not yet been elucidated. In the present study, we prepared a series of DOTAP/DOPC cationic liposomes with different surface densities by incorporating varying amounts of DOPC (a neutral lipid) into DOTAP (a cationic lipid). The results showed that DOTAP/DOPC cationic liposome-regulated immune responses relied on the surface charge density, and might occur through ROS signaling. The liposomes with a relatively high charge density, such as DOTAP/DOPC 5 : 0 and 4 : 1 liposomes, potently enhanced dendritic cell maturation, ROS generaion, antigen uptake, as well as the production of OVA-specific IgG2a and IFN-γ. In contrast, low-charge liposomes, such as DOTAP/DOPC 1 : 4 liposome, failed to promote immune responses even at high concentrations, confirming that the immunoregulatory effect of cationic liposomes is mostly attributable to their surface charge density. Moreover, the DOTAP/DOPC 1 : 4 liposome suppressed anti-OVA antibody responses in vivo. Overall, maintaining an appropriate surface charge is crucial for optimizing the adjuvant effect of cationic liposomes and enhancing the efficacy of liposome-based vaccines.

  12. Dental plaque microcosm response to bonding agents containing quaternary ammonium methacrylates with different chain lengths and charge densities.

    Science.gov (United States)

    Zhou, Han; Li, Fang; Weir, Michael D; Xu, Hockin H K

    2013-11-01

    Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Six QAMs were synthesized with CL=3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL=16) was mixed into SBMP at mass fraction=0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4h. Biofilm colony-forming units (CFU) were measured at 2 days. Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL=16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Dental plaque microcosm response to bonding agents containing quaternary ammonium methacrylates with different chain lengths and charge densities

    Science.gov (United States)

    Zhou, Han; Li, Fang; Weir, Michael D.; Xu, Hockin H.K.

    2013-01-01

    Objectives Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Methods Six QAMs were synthesized with CL = 3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond Multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL = 16) was mixed into SBMP at mass fraction = 0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4 hours. Biofilm colony-forming units (CFU) were measured at 2 days. Results Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL = 16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Conclusions Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. PMID:23948394

  14. Density and Charge of Pristine Fluffy Particles from Comet 67P/Churyumov-Gerasimenko

    Science.gov (United States)

    Fulle, M.; Della Corte, V.; Rotundi, A.; Weissman, P.; Juhasz, A.; Szego, K.; Sordini, R.; Ferrari, M.; Ivanovski, S.; Lucarelli, F.; Accolla, M.; Merouane, S.; Zakharov, V.; Mazzotta Epifani, E.; López-Moreno, J. J.; Rodríguez, J.; Colangeli, L.; Palumbo, P.; Grün, E.; Hilchenbach, M.; Bussoletti, E.; Esposito, F.; Green, S. F.; Lamy, P. L.; McDonnell, J. A. M.; Mennella, V.; Molina, A.; Morales, R.; Moreno, F.; Ortiz, J. L.; Palomba, E.; Rodrigo, R.; Zarnecki, J. C.; Cosi, M.; Giovane, F.; Gustafson, B.; Herranz, M. L.; Jerónimo, J. M.; Leese, M. R.; López-Jiménez, A. C.; Altobelli, N.

    2015-03-01

    The Grain Impact Analyzer and Dust Accumulator (GIADA) instrument on board ESA’s Rosetta mission is constraining the origin of the dust particles detected within the coma of comet 67 P/Churyumov-Gerasimenko (67P). The collected particles belong to two families: (i) compact particles (ranging in size from 0.03 to 1 mm), witnessing the presence of materials that underwent processing within the solar nebula and (ii) fluffy aggregates (ranging in size from 0.2 to 2.5 mm) of sub-micron grains that may be a record of a primitive component, probably linked to interstellar dust. The dynamics of the fluffy aggregates constrain their equivalent bulk density to \\lt 1 kg m-3. These aggregates are charged, fragmented, and decelerated by the spacecraft negative potential and enter GIADA in showers of fragments at speeds \\lt 1 m s-1. The density of such optically thick aggregates is consistent with the low bulk density of the nucleus. The mass contribution of the fluffy aggregates to the refractory component of the nucleus is negligible and their coma brightness contribution is less than 15%.

  15. Management of deep brain stimulator battery failure: battery estimators, charge density, and importance of clinical symptoms.

    Directory of Open Access Journals (Sweden)

    Kaihan Fakhar

    Full Text Available OBJECTIVE: We aimed in this investigation to study deep brain stimulation (DBS battery drain with special attention directed toward patient symptoms prior to and following battery replacement. BACKGROUND: Previously our group developed web-based calculators and smart phone applications to estimate DBS battery life (http://mdc.mbi.ufl.edu/surgery/dbs-battery-estimator. METHODS: A cohort of 320 patients undergoing DBS battery replacement from 2002-2012 were included in an IRB approved study. Statistical analysis was performed using SPSS 20.0 (IBM, Armonk, NY. RESULTS: The mean charge density for treatment of Parkinson's disease was 7.2 µC/cm(2/phase (SD = 3.82, for dystonia was 17.5 µC/cm(2/phase (SD = 8.53, for essential tremor was 8.3 µC/cm(2/phase (SD = 4.85, and for OCD was 18.0 µC/cm(2/phase (SD = 4.35. There was a significant relationship between charge density and battery life (r = -.59, p<.001, as well as total power and battery life (r = -.64, p<.001. The UF estimator (r = .67, p<.001 and the Medtronic helpline (r = .74, p<.001 predictions of battery life were significantly positively associated with actual battery life. Battery status indicators on Soletra and Kinetra were poor predictors of battery life. In 38 cases, the symptoms improved following a battery change, suggesting that the neurostimulator was likely responsible for symptom worsening. For these cases, both the UF estimator and the Medtronic helpline were significantly correlated with battery life (r = .65 and r = .70, respectively, both p<.001. CONCLUSIONS: Battery estimations, charge density, total power and clinical symptoms were important factors. The observation of clinical worsening that was rescued following neurostimulator replacement reinforces the notion that changes in clinical symptoms can be associated with battery drain.

  16. The charge density distribution in a model compound of the catalytic triad in serine proteases.

    Science.gov (United States)

    Overgaard, J; Schiøtt, B; Larsen, F K; Iversen, B B

    2001-09-03

    Combined low temperature (28(1) K) X-ray and neutron diffraction measurements were carried out on the co-crystallised complex of betaine, imidazole, and picric acid (1). The experimental charge density was determined and compared with ab initio theoretical calculations at the B3LYP/6-311G(d,p) level of theory. The complex serves as a model for the active site in, for example, the serine protease class of enzymes, the so-called catalytic triad. The crystal contains three short strong N-H...O hydrogen bonds (HBs) with dN...O comparison with low-barrier and single-well hydrogen bonding systems (e.g., benzoylacetone and nitromalonamide) shows that the low-barrier hydrogen bond (LBHB) state is characterized by an enormously increased hydrogen atom source contribution to the bond critical point in the HB. In this context, HB2 can be characterized as intermediate between localized HBs and delocalized LBHBs.

  17. Fermi Surface Evolution Across Multiple Charge Density Wave Transitions in ErTe3

    Energy Technology Data Exchange (ETDEWEB)

    Moore, R.G.; /SLAC, SSRL /Stanford U., Geballe Lab.; Brouet, V.; /Orsay, LPS; He, R.; /SLAC, SSRL /Stanford U., Geballe Lab.; Lu, D.H.; /SLAC, SSRL; Ru, N.; Chu, J.-H.; Fisher, I.R.; /Stanford U., Geballe Lab.; Shen, Z.-X.; /SLAC, SSRL /Stanford U., Geballe Lab.

    2010-02-15

    The Fermi surface (FS) of ErTe{sub 3} is investigated using angle-resolved photoemission spectroscopy (ARPES). Low temperature measurements reveal two incommensurate charge density wave (CDW) gaps created by perpendicular FS nesting vectors. A large {Delta}{sub 1} = 175 meV gap arising from a CDW with c* - q{sub CDW1} {approx} 0.70(0)c* is in good agreement with the expected value. A second, smaller {Delta}{sub 2} = 50 meV gap is due to a second CDW with a* - q{sub CDW2} {approx} 0.68(5)a*. The temperature dependence of the FS, the two gaps and possible interaction between the CDWs are examined.

  18. Charge density wave formation in R2Te5 (R=Nd, Sm, and Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Shin, K. Y.; Laverock, J.; Wu, Y. Q.; Condron, C.; Toney, M.; Dugdale, S.; Kramer, M.; Fisher, I.

    2008-04-01

    The rare earth (R) tellurides R{sub 2}Te{sub 5} have a crystal structure intermediate between that of RTe{sub 2} and RTe{sub 3}, consisting of alternating single and double Te planes sandwiched between RTe block layers. We have successfully grown single crystals of Nd{sub 2}Te{sub 5}, Sm{sub 2}Te{sub 5}, and Gd{sub 2}Te{sub 5} from a self-flux and we describe here evidence for charge density wave formation in these materials. The superlattice patterns for all three compounds are relatively complex, consisting at room temperature of at least two independent wave vectors. Consideration of the electronic structure indicates that, to a large extent, these wave vectors are separately associated with sheets of the Fermi surface which are principally derived from the single and double Te layers.

  19. Charge Density Wave Formation in R(2)Te(5) (R=Nd, Sm, And Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Shin, K.Y.; Laverock, J.; Wu, Y.Q.; Condron, C.L.; Toney, M.F.; Dugdale, S.B.; Kramer, M.J.; Fisher, I.R.

    2009-05-27

    The rare earth (R) tellurides R{sub 2}Te{sub 5} have a crystal structure intermediate between that of RTe{sub 2} and RTe{sub 3}, consisting of alternating single and double Te planes sandwiched between RTe block layers. We have successfully grown single crystals of Nd{sub 2}Te{sub 5}, Sm{sub 2}Te{sub 5}, and Gd{sub 2}Te{sub 5} from a self-flux and we describe here evidence for charge density wave formation in these materials. The superlattice patterns for all three compounds are relatively complex, consisting at room temperature of at least two independent wave vectors. Consideration of the electronic structure indicates that, to a large extent, these wave vectors are separately associated with sheets of the Fermi surface which are principally derived from the single and double Te layers.

  20. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3

    International Nuclear Information System (INIS)

    Kim, H.J.; Tomic, A.T.; Tessmer, S.H.; Billinge, S.J.L.; Malliakas, C.D.; Kanatzidis, M.G.

    2006-01-01

    The local structure of CeTe 3 in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system

  1. Spectroscopic study of the charge density wave order in 2H[ -TaS2

    Science.gov (United States)

    Zhao, J.; Wijayaratne, K.; Malliakas, C. D.; Kanatzidis, M. G.; Chung, D. Y.; Gu, G.; Chatterjee, U.

    2017-09-01

    We conduct Angle Resolved Photoemission Spectroscopy (ARPES) investigation on 2H-TaS2, a prototypical incommensurate Charge Density Wave (CDW) material. A comparative study of the low-energy electronic structures of 2H-TaS2 and two other related compounds, 2H-TaSe2 and 2H-NbSe2, identifies several generic features of their CDW orders. Firstly, Fermi surface (FS) nesting alone doesn't seem to give rise to the CDW instability in these compounds. Secondly, partial gapping of the underlying FS surface in the CDW state is common to each of these materials. Finally, the CDW energy gap, unlike the energy gap in a superconductor, is not symmetric with respect to the chemical potential.

  2. Monte Carlo studies of diamagnetism and charge density wave order in the cuprate pseudogap regime

    Science.gov (United States)

    Hayward Sierens, Lauren; Achkar, Andrew; Hawthorn, David; Melko, Roger; Sachdev, Subir

    2015-03-01

    The pseudogap regime of the hole-doped cuprate superconductors is often characterized experimentally in terms of a substantial diamagnetic response and, from another point of view, in terms of strong charge density wave (CDW) order. We introduce a dimensionless ratio, R, that incorporates both diamagnetic susceptibility and the correlation length of CDW order, and therefore reconciles these two fundamental characteristics of the pseudogap. We perform Monte Carlo simulations on a classical model that considers angular fluctuations of a six-dimensional order parameter, and compare our Monte Carlo results for R with existing data from torque magnetometry and x-ray scattering experiments on YBa2Cu3O6+x. We achieve qualitative agreement, and also propose future experiments to further investigate the behaviour of this dimensionless ratio.

  3. Synthetic polycations with controlled charge density and molecular weight as building blocks for biomaterials.

    Science.gov (United States)

    Kleinberger, Rachelle M; Burke, Nicholas A D; Zhou, Christal; Stöver, Harald D H

    2016-01-01

    A series of polycations prepared by RAFT copolymerization of N-(3-aminopropyl)methacrylamide hydrochloride (APM) and N-(2-hydroxypropyl)methacrylamide, with molecular weights of 15 and 40 kDa, and APM content of 10-75 mol%, were tested as building blocks for electrostatically assembled hydrogels such as those used for cell encapsulation. Complexation and distribution of these copolymers within anionic calcium alginate gels, as well as cytotoxicity, cell attachment, and cell proliferation on surfaces grafted with the copolymers were found to depend on composition and molecular weight. Copolymers with lower cationic charge density and lower molecular weight showed less cytotoxicity and cell adhesion, and were more mobile within alginate gels. These findings aid in designing improved polyelectrolyte complexes for use as biomaterials.

  4. Origin of Superconductivity and Latent Charge Density Wave in NbS2

    Science.gov (United States)

    Heil, Christoph; Poncé, Samuel; Lambert, Henry; Schlipf, Martin; Margine, Elena R.; Giustino, Feliciano

    2017-08-01

    We elucidate the origin of the phonon-mediated superconductivity in 2 H -NbS2 using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonstrate that superconductivity is associated with Fermi surface hot spots exhibiting an unusually strong electron-phonon interaction. The electron-lattice coupling is dominated by low-energy anharmonic phonons, which place the system on the verge of a charge density wave instability. We also provide definitive evidence for two-gap superconductivity in 2 H -NbS2 , and show that the low- and high-energy peaks observed in tunneling spectra correspond to the Γ - and K -centered Fermi surface pockets, respectively. The present findings call for further efforts to determine whether our proposed mechanism underpins superconductivity in the whole family of metallic transition metal dichalcogenides.

  5. Phase transitions to dipolar clusters and charge density waves in high T{sub c} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Saarela, M., E-mail: Mikko.Saarela@oulu.fi [Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 (Finland); Kusmartsev, F.V. [Department of Physics, Loughborough University, LE11 3TU (United Kingdom)

    2017-02-15

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  6. Determination of surface charge density of α-alumina by acid-base titration

    Directory of Open Access Journals (Sweden)

    Justin W. Ntalikwa

    2007-04-01

    Full Text Available The surface charge density (σo of colloidal alpha alumina suspended in various 1:1 electrolytes was measured using acid-base titration. An autotitrator capable of dispensing accurately 25 plus or minus 0.1 μL of titrant was used. The pH and temperature in the titration cell were monitored using single junction electrodes and platinum resistance thermometers, respectively. A constant supply of nitrogen gas in the cell was used to maintain inert conditions. The whole set up was interfaced with a computer for easy data acquisition. It was observed that the material exhibits a point of zero charge (PZC, this occurred at pH of 7.8 plus or minus 0.1, 7.6 plus or minus 0.2, 8.5 plus or minus 0.1, 8.3 plus or minus 0.1 for NaCl, NaNO3, CsCl and CsNO3 systems, respectively. It was also observed that below PZC, σo increases with increase in electrolyte concentration (Co whereas above PZC, σo decreases with increase in Co. It was concluded that σo of this material is a function of pH and Co and that its polarity can be varied through zero by varying these parameters.

  7. Charge density waves and local states in quasi-one-dimensional mixed valence inorganic complexes

    International Nuclear Information System (INIS)

    Conradson, S.D.; Stroud, M.A.; Zietlow, M.H.; Swanson, B.I.; Baeriswyl, D.; Bishop, A.R.

    1987-10-01

    The ground state structures and local states associated with chemical defects in quasi-one-dimensional halogen (X) bridged transition metal (M) mixed valence solids of MX and MMX type have been studied. An adiabatic Hartree-Fock theoretical framework is presented and representative members are classified. The MX materials provide a class whose strong electron-phonon coupling usually favors a charge-density-wave (CDW) ground state. However, the coupling strength can be chemically tuned (e.g., by extension to MMX systems) or altered by pressure, driving the ground state structures towards, e.g., a bond-order-wave (BOW) phase. Electron-phonon driven self-trapped states are expected in both the CDW or BOW regimes. Resonance Raman spectra of the MMX solid K 4 (Pt 2 (P 2 O 5 H 2 ) 4 Cl)·H 2 O show, in addition to the homogeneous ground state modes, sharp new features with excitation profiles shifted to the red of the intervalence-charge-transfer (IVCT) band. We attribute these new bands to a local polaron state formed by oxidation of the Pt 2 Cl chain by a chemical defect. The observed spectral characteristics of this local state are in good agreement with theoretical predictions. (author). 28 refs, 4 figs, 1 tab

  8. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.

    Science.gov (United States)

    Zhang, Lixian; Ying, Fuming; Wu, Wei; Hiberty, Philippe C; Shaik, Sason

    2009-01-01

    To characterize the nature of bonding we derive the topological properties of the electron charge density of a variety of bonds based on ab initio valence bond methods. The electron density and its associated Laplacian are partitioned into covalent, ionic, and resonance components in the valence bond spirit. The analysis provides a density-based signature of bonding types and reveals, along with the classical covalent and ionic bonds, the existence of two-electron bonds in which most of the bonding arises from the covalent-ionic resonance energy, so-called charge-shift bonds. As expected, the covalent component of the Laplacian at the bond critical point is found to be largely negative for classical covalent bonds. In contrast, for charge-shift bonds, the covalent part of the Laplacian is small or positive, in agreement with the weakly attractive or repulsive character of the covalent interaction in these bonds. On the other hand, the resonance component of the Laplacian is always negative or nearly zero, and it increases in absolute value with the charge-shift character of the bond, in agreement with the decrease of kinetic energy associated with covalent-ionic mixing. A new interpretation of the topology of the total density at the bond critical point is proposed to characterize covalent, ionic, and charge-shift bonding from the density point of view.

  9. The effect of contrast medium SonoVue® on the electric charge density of blood cells.

    Science.gov (United States)

    Petelska, Aneta D; Janica, Jacek R; Kotynska, Joanna; Łebkowska, Urszula; Figaszewski, Zbigniew A

    2012-01-01

    The effect of contrast medium SonoVue® on the electric charge density of blood cells (erythrocytes and thrombocytes) was measured using a microelectrophoretic method. We examined the effect of adsorbed H⁺ and OH⁻ ions on the surface charge of erythrocytes or thrombocytes. Surface charge density values were determined from electrophoretic mobility measurements of blood cells performed at various pH levels. The interaction between solution ions and the erythrocyte's or thrombocyte's surface was described by a four-component equilibrium model. The agreement between the experimental and theoretical charge variation curves of the erythrocytes and thrombocytes was good at pH 2-9. The deviation observed at a higher pH may be caused by disregarding interactions between the functional groups of blood cells.

  10. Direct Visualization of Orbital Flipping in Volborthite by Charge Density Analysis Using Detwinned Data

    Science.gov (United States)

    Sugawara, Kento; Sugimoto, Kunihisa; Fujii, Tatsuya; Higuchi, Takafumi; Katayama, Naoyuki; Okamoto, Yoshihiko; Sawa, Hiroshi

    2018-02-01

    The distribution of d-orbital valence electrons in volborthite [Cu3V2O7(OH)2 • 2H2O] was investigated by charge density analysis of the multipole model refinement. Diffraction data were obtained by synchrotron radiation single-crystal X-ray diffraction experiments. Data reduction by detwinning of the multiple structural domains was performed using our developed software. In this study, using high-quality data, we demonstrated that the water molecules in volborthite can be located by the hydrogen bonding in cavities that consist of Kagome lattice layers of CuO4(OH)2 and pillars of V2O7. Final multipole refinements before and after the structural phase transition directly visualized the deformation electron density of the valence electrons. We successfully directly visualized the orbital flipping of the d-orbital dx2-y2, which is the highest level of 3d orbitals occupied by d9 electrons in volborthite. The developed techniques and software can be employed for investigations of structural properties of systems with multiple structural domains.

  11. Synchrotron X-Ray Charge-Density Study of Coordination Polymer (Mn(HCOO)2(H2O)2)∞

    International Nuclear Information System (INIS)

    Poulsen, Rasmus D.; Jorgensen, Mads R.V.; Overgaard, Jacob; Larsen, Finn K.; Morgenroth, Wolfgang; Graber, Timothy; Chen, Yu-Sheng; Iversen, Bo B.

    2007-01-01

    Three high-quality single-crystal X-ray diffraction data sets have been measured under very different conditions on a structurally simple, but magnetically complex, coordination polymer, (Mn(HCOO) 2 (H 2 O) 2 )∞ (1). The first data set is a conventional 100(2) K Mo Kα data set, the second is a very high resolution 100(2) K data set measured on a second-generation synchrotron source, while the third data set was measured with a tiny crystal on a high brilliance third-generation synchrotron source at 16(2) K. Furthermore, the magnetic susceptibility (χ) and the heat capacity (C p ) have been measured from 2 to 300 K on pressed powder. The charge density of 1 was determined from multipole modeling of the experimental structure factors, and overall there is good agreement between the densities obtained separately from the three data sets. When considering the fine density features, the two 100 K data sets agree well with each other, but show small differences to the 16 K data set. Comparison with ab initio theory suggests that the 16 K APS data set provides the most accurate density. Topological analysis of the metal-ligand bonding, experimental 3d orbital populations on the Mn atoms, and Bader atomic charges indicate quite ionic, high-spin metal atoms. This picture is supported by the effective moment estimated from the magnetization measurements (5.840(2)μ B ), but it is at variance with earlier spin density measurements from polarized neutron diffraction. The magnetic ordering originates from superexchange involving covalent interactions with the ligands, and non-ionic effects are observed in the static deformation density maps as well as in plots of the valence shell charge concentrations. Overall, the present study provides a benchmark charge density that can be used in comparison with future metal formate dihydrate charge densities.

  12. Synchrotron X-ray charge-density study of coordination polymer [Mn(HCOO)2(H2O)2]infinity.

    Science.gov (United States)

    Poulsen, Rasmus D; Jørgensen, Mads R V; Overgaard, Jacob; Larsen, Finn K; Morgenroth, Wolfgang; Graber, Timothy; Chen, Yu-Sheng; Iversen, Bo B

    2007-01-01

    Three high-quality single-crystal X-ray diffraction data sets have been measured under very different conditions on a structurally simple, but magnetically complex, coordination polymer, [Mn(HCOO)(2)(H(2)O)(2)](infinity) (1). The first data set is a conventional 100(2) K Mo(Kalpha) data set, the second is a very high resolution 100(2) K data set measured on a second-generation synchrotron source, while the third data set was measured with a tiny crystal on a high brilliance third-generation synchrotron source at 16(2) K. Furthermore, the magnetic susceptibility (chi) and the heat capacity (C(p)) have been measured from 2 to 300 K on pressed powder. The charge density of 1 was determined from multipole modeling of the experimental structure factors, and overall there is good agreement between the densities obtained separately from the three data sets. When considering the fine density features, the two 100 K data sets agree well with each other, but show small differences to the 16 K data set. Comparison with ab initio theory suggests that the 16 K APS data set provides the most accurate density. Topological analysis of the metal-ligand bonding, experimental 3d orbital populations on the Mn atoms, and Bader atomic charges indicate quite ionic, high-spin metal atoms. This picture is supported by the effective moment estimated from the magnetization measurements (5.840(2) mu(B)), but it is at variance with earlier spin density measurements from polarized neutron diffraction. The magnetic ordering originates from superexchange involving covalent interactions with the ligands, and non-ionic effects are observed in the static deformation density maps as well as in plots of the valence shell charge concentrations. Overall, the present study provides a benchmark charge density that can be used in comparison with future metal formate dihydrate charge densities.

  13. The RF charge pump technique for measuring the interface state density on leaky dielectrics

    NARCIS (Netherlands)

    Sasse, G.T.; de Vries, Hendrikus; Vries, Henk; Schmitz, Jurriaan

    In this work the RF charge pump technique is presented. It is shown that this technique can rovide charge pump data of devices that have a leakage current too high for classical charge pump measurements. The methodology of accurately performing RF charge pump measurements is discussed and

  14. Charge pumping at radio frequencies [MOSFET device interface state density measurement

    NARCIS (Netherlands)

    Sasse, G.T.; de Vries, Hendrikus; de Vries, H.; Schmitz, Jurriaan

    In this work, for the first time, charge pump results are shown that are obtained at frequencies in the GHz range. A comparison is made with charge pump results at lower frequencies. A very good agreement is seen between the low frequency charge pump data and the RF charge pump data. Measurement

  15. Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.

    Science.gov (United States)

    Lian, Cheng; Zhao, Shuangliang; Liu, Honglai; Wu, Jianzhong

    2016-11-28

    Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the duration of charging. Furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.

  16. Mapping Charge Carrier Density in Organic Thin-Film Transistors by Time-Resolved Photoluminescence Lifetime Studies

    DEFF Research Database (Denmark)

    Leißner, Till; Jensen, Per Baunegaard With; Liu, Yiming

    2017-01-01

    The device performance of organic transistors is strongly influenced by the charge carrier distribution. A range of factors effect this distribution, including injection barriers at the metal-semiconductor interface, the morphology of the organic film, and charge traps at the dielectric/organic i......The device performance of organic transistors is strongly influenced by the charge carrier distribution. A range of factors effect this distribution, including injection barriers at the metal-semiconductor interface, the morphology of the organic film, and charge traps at the dielectric....../organic interface or at grain boundaries. In our comprehensive experimental and analytical work we demonstrate a method to characterize the charge carrier density in organic thin-film transistors using time-resolved photoluminescence spectroscopy. We developed a numerical model that describes the electrical...

  17. Small scale density variations of electrons and charged particles in the vicinity of polar mesosphere summer echoes

    Directory of Open Access Journals (Sweden)

    M. Rapp

    2003-01-01

    Full Text Available We present small scale variations of electron number densities and particle charge number densities measured in situ in the presence of polar mesosphere summer echoes. It turns out that the small scale fluctuations of electrons and negatively charged particles show a strong anticorrelation down to the smallest scales observed. Comparing these small scale structures with the simultaneously measured radar signal to noise profile, we find that the radar profile is well described by the power spectral density of both electrons and charged particles at the radar half wavelength (=the Bragg scale. Finally, we consider the shape of the power spectra of the observed plasma fluctuations and find that both charged particles and electrons show spectra that can be explained in terms of either neutral air turbulence acting on the distribution of a low diffusivity tracer or the fossil remnants of a formerly active turbulent region. All these results are consistent with the theoretical ideas by Rapp and Lübken (2003 suggesting that PMSE can be explained by a combination of active and fossil neutral air turbulence acting on the large and heavy charged aerosol particles which are subsequently mirrored in the electron number density distribution that becomes visible to a VHF radar when small scale fluctuations are present.

  18. Studies of the pressure dependence of the charge density distribution in cerium phosphide by the maximum-entropy method

    CERN Document Server

    Ishimatsu, N; Takata, M; Nishibori, E; Sakata, M; Hayashi, J; Shirotani, I; Shimomura, O

    2002-01-01

    The physical properties relating to 4f electrons in cerium phosphide, especially the temperature dependence and the isomorphous transition that occurs at around 10 GPa, were studied by means of x-ray powder diffraction and charge density distribution maps derived by the maximum-entropy method. The compressibility of CeP was exactly determined using a helium pressure medium and the anomaly that indicated the isomorphous transition was observed in the compressibility. We also discuss the anisotropic charge density distribution of Ce ions and its temperature dependence.

  19. Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

    KAUST Repository

    Gan, Liyong

    2015-12-07

    By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.

  20. Lateral phase drift of the topological charge density in stochastic optical fields

    CSIR Research Space (South Africa)

    Roux, FS

    2012-03-01

    Full Text Available The statistical distributions of optical vortices or topological charge in stochastic optical fields can be inhomogeneous in both transverse directions. Such two-dimensional inhomogeneous vortex or topological charge distributions evolve in a...

  1. Incommensurate Phonon Anomaly and the Nature of Charge Density Waves in Cuprates

    Science.gov (United States)

    Miao, H.; Ishikawa, D.; Heid, R.; Le Tacon, M.; Fabbris, G.; Meyers, D.; Gu, G. D.; Baron, A. Q. R.; Dean, M. P. M.

    2018-01-01

    While charge density wave (CDW) instabilities are ubiquitous to superconducting cuprates, the different ordering wave vectors in various cuprate families have hampered a unified description of the CDW formation mechanism. Here, we investigate the temperature dependence of the low-energy phonons in the canonical CDW-ordered cuprate La1.875 Ba0.125 CuO4 . We discover that the phonon softening wave vector associated with CDW correlations becomes temperature dependent in the high-temperature precursor phase and changes from a wave vector of 0.238 reciprocal lattice units (r.l.u.) below the ordering transition temperature to 0.3 r.l.u. at 300 K. This high-temperature behavior shows that "214"-type cuprates can host CDW correlations at a similar wave vector to previously reported CDW correlations in non-214-type cuprates such as YBa2 Cu3 O6 +δ . This indicates that cuprate CDWs may arise from the same underlying instability despite their apparently different low-temperature ordering wave vectors.

  2. Magnetic field controlled charge density wave coupling in underdoped YBa2Cu3O6+x

    DEFF Research Database (Denmark)

    Chang, J.; Blackburn, E.; Ivashko, O.

    2016-01-01

    The application of magnetic fields to layered cuprates suppresses their high-temperature superconducting behaviour and reveals competing ground states. In widely studied underdoped YBa2Cu3O6+x (YBCO), the microscopic nature of field-induced electronic and structural changes at low temperatures...... at B∼15 T. The CDW signal along the a-direction is also enhanced by field, but does not develop an additional pattern of correlations. Magnetic field modifies the coupling between the CuO2 bilayers in the YBCO structure, and causes the sudden appearance of the 3D CDW order. The mirror symmetry...... remains unclear. Here we report an X-ray study of the high-field charge density wave (CDW) in YBCO. For hole dopings ∼ 0.123, we find that a field (B∼10 T) induces additional CDW correlations along the CuO chain (b-direction) only, leading to a three-dimensional (3D) ordered state along this direction...

  3. Multiple charge density wave states at the surface of TbT e3

    Science.gov (United States)

    Fu, Ling; Kraft, Aaron M.; Sharma, Bishnu; Singh, Manoj; Walmsley, Philip; Fisher, Ian R.; Boyer, Michael C.

    2016-11-01

    We studied TbT e3 using scanning tunneling microscopy (STM) in the temperature range of 298-355 K. Our measurements detect a unidirectional charge density wave (CDW) state in the surface Te layer with a wave vector consistent with that of the bulk qCDW=0.30 ±0.01 c* . However, unlike previous STM measurements, and differing from measurements probing the bulk, we detect two perpendicular orientations for the unidirectional CDW with no directional preference for the in-plane crystal axes (a or c axis) and no noticeable difference in wave vector magnitude. In addition, we find regions in which the bidirectional CDW states coexist. We propose that observation of two unidirectional CDW states indicates a decoupling of the surface Te layer from the rare-earth block layer below, and that strain variations in the Te surface layer drive the local CDW direction to the specific unidirectional or, in rare occurrences, bidirectional CDW orders observed. This indicates that similar driving mechanisms for CDW formation in the bulk, where anisotropic lattice strain energy is important, are at play at the surface. Furthermore, the wave vectors for the bidirectional order we observe differ from those theoretically predicted for checkerboard order competing with stripe order in a Fermi-surface nesting scenario, suggesting that factors beyond Fermi-surface nesting drive CDW order in TbT e3 . Finally, our temperature-dependent measurements provide evidence for localized CDW formation above the bulk transition temperature TCDW.

  4. Resonant Enhancement of Charge Density Wave Diffraction in the Rare-Earth Tri-Tellurides

    Energy Technology Data Exchange (ETDEWEB)

    Lee, W.S.; Sorini, A.P.; Yi, M.; Chuang, Y.D.; Moritz, B.; Yang, W.L.; Chu, J.-H.; Kuo, H.H.; Gonzalez, A.G.Cruz; Fisher, I.R.; Hussain, Z.; Devereau, T.P.; Shen, Z.X.

    2012-05-15

    We performed resonant soft X-ray diffraction on known charge density wave (CDW) compounds, rare earth tri-tellurides. Near the M{sub 5} (3d - 4f) absorption edge of rare earth ions, an intense diffraction peak is detected at a wavevector identical to that of CDW state hosted on Te{sub 2} planes, indicating a CDW-induced modulation on the rare earth ions. Surprisingly, the temperature dependence of the diffraction peak intensity demonstrates an exponential increase at low temperatures, vastly different than that of the CDW order parameter. Assuming 4f multiplet splitting due to the CDW states, we present a model to calculate X-ray absorption spectrum and resonant profile of the diffraction peak, agreeing well with experimental observations. Our results demonstrate a situation where the temperature dependence of resonant X-ray diffraction peak intensity is not directly related to the intrinsic behavior of the order parameter associated with the electronic order, but is dominated by the thermal occupancy of the valence states.

  5. Recent Advances in Two-Dimensional Materials with Charge Density Waves: Synthesis, Characterization and Applications

    Directory of Open Access Journals (Sweden)

    Mongur Hossain

    2017-10-01

    Full Text Available Recently, two-dimensional (2D charge density wave (CDW materials have attracted extensive interest due to potential applications as high performance functional nanomaterials. As other 2D materials, 2D CDW materials are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into layers of single unit cell thickness. Although bulk CDW materials have been studied for decades, recent developments in nanoscale characterization and device fabrication have opened up new opportunities allowing applications such as oscillators, electrodes in supercapacitors, energy storage and conversion, sensors and spinelectronic devices. In this review, we first outline the synthesis techniques of 2D CDW materials including mechanical exfoliation, liquid exfoliation, chemical vapor transport (CVT, chemical vapor deposition (CVD, molecular beam epitaxy (MBE and electrochemical exfoliation. Then, the characterization procedure of the 2D CDW materials such as temperature-dependent Raman spectroscopy, temperature-dependent resistivity, magnetic susceptibility and scanning tunneling microscopy (STM are reviewed. Finally, applications of 2D CDW materials are reviewed.

  6. Assessment of fixed charge density in regenerated cartilage by Gd-DTPA-enhanced MRI

    International Nuclear Information System (INIS)

    Miyata, Shogo; Homma, Kazuhiro; Numano, Tomokazu; Furukawa, Katsuko; Tateishi, Tetsuya; Ushida, Takashi

    2006-01-01

    Applying regenerated cartilage in a clinical setting requires noninvasive evaluation to detect the maturity of cartilage tissue. Magnetic resonance (MR) imaging of articular cartilage is well accepted and has been applied clinically in recent years. We attempt to establish a noninvasive method to evaluate the maturity of regenerated cartilage tissue using gadolinium-enhanced MR imaging. To reconstruct cartilaginous tissue, we embedded articular chondrocytes harvested from bovine humeral head in agarose gel and cultured the cells in vitro up to 4 weeks. The fixed charge density (FCD) of the cartilage was determined using MRI gadolinium exclusion method. The sulfated glycosaminoglycan (sGAG) content was determined by dimethylmethylene blue dye-binding assay. The sGAG content and FCD of the regenerated cartilage increased with duration of culture. In the T 1 Gd maps, the [Gd-DTPA 2- ] in the specimen decreased, and the boundary between the sample disk and the bath solution of phosphate buffered saline (PBS) became clearer as time in culture increased. In the linear regression analysis, FCD and sGAG content correlated significantly. Gadolinium-enhanced MR imaging measurements can be useful predictors of the degree of cartilaginous tissue formation. (author)

  7. Charge and current density profiles of a degenerate magnetized free-electron gas near a hard wall

    NARCIS (Netherlands)

    Kettenis, M.M.; Suttorp, L.G.

    1998-01-01

    The charge and current densities of a completely degenerate free-electron gas in a uniform magnetic field are found to have a damped oscillatory spatial dependence near a wall that is parallel to the magnetic field. For large distances from the wall the behaviour of the associated profile functions

  8. A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

    NARCIS (Netherlands)

    Hiemstra, T.; Riemsdijk, van W.H.

    2009-01-01

    A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the

  9. Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

    Science.gov (United States)

    Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

    2018-03-01

    Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

  10. Charge density wave and superconductivity in 2H-and 4H-NbSe2: A ...

    Indian Academy of Sciences (India)

    Good-quality hexagonal NbSe2 single crystals were prepared. In 2H-NbSe2, superconducting and charge density wave (CDW) transitions were found at = 7.4 K and = 35 K respectively as reported previously. We have noticed that these two transitions are changed to = 42 K and = 6.5 K, in 4H-NbSe2.

  11. Membrane effects of Vitamin E deficiency: bioenergetic and surface-charge-density studies of skeletal muscle and liver mitochondria

    Energy Technology Data Exchange (ETDEWEB)

    Quintanilha, A.T.; Packer, L.; Szyszlo Davies, J.M.; Racanelli, T.L.; Davies, K.J.A.

    1981-12-01

    Vitamin E (dl-..cap alpha..-tocopherol) deficiency in rats increased the sensitivity of liver and muscle mitochondria to damage during incubation at various temperatures, irradiation with visible light, or steady state respiration with substrates. In all cases, vitamin E deficient mitochondria exhibited increased lipid peroxidation, reduced transmembrane potential, decreased respiratory coupling, and lower rates of electron transport, compared to control mitochondria. Muscle mitochondria always showed greater negative inner membrane surface charge density, and were also more sensitive to damage than were liver mitochondria. Vitamin E deficient mitochondria also showed slightly more negative inner membrane surface charge density compared to controls. The relationship between greater negative surface potential and increased sensitivity to damage observed, provides for a new and sensitive method to further probe the role of surface charge in membrane structure and function. Implications of these new findings for the well known human muscle myopathies and those experimentally induced by Vitamin E deficiency in animals, are discussed.

  12. Transmission and reflection of charge-density wave packets in a quantum Hall edge controlled by a metal gate

    Science.gov (United States)

    Matsuura, Masahiro; Mano, Takaaki; Noda, Takeshi; Shibata, Naokazu; Hotta, Masahiro; Yusa, Go

    2018-02-01

    Quantum energy teleportation (QET) is a proposed protocol related to quantum vacuum. The edge channels in a quantum Hall system are well suited for the experimental verification of QET. For this purpose, we examine a charge-density wave packet excited and detected by capacitively coupled front gate electrodes. We observe the waveform of the charge packet, which is proportional to the time derivative of the applied square voltage wave. Further, we study the transmission and reflection behaviors of the charge-density wave packet by applying a voltage to another front gate electrode to control the path of the edge state. We show that the threshold voltages where the dominant direction is switched in either transmission or reflection for dense and sparse wave packets are different from the threshold voltage where the current stops flowing in an equilibrium state.

  13. Deduction of edge electron density with multiply charged ions in ORNL volume-type electron cyclotron resonance ion source.

    Science.gov (United States)

    You, H-J; Woo, H-J; Chung, K-S; Liu, Y; Meyer, F W; Lho, T; Lee, M-J

    2008-02-01

    The electron densities in the argon plasmas of the ORNL 6 GHz electron cyclotron resonance (ECR) ion source with a flat central magnetic field have been deduced from the ion branches of the electric probe current-voltage curves measured in the edge region of the plasmas. To overcome the difficulties due to unknown velocities of multiply charged ions at the sheath edge, a modified generalized Bohm criterion for the ion sheath velocity is introduced and the mean velocity of all ionic charge states at the sheath edge is assumed to be equal to the sound velocity of the system of particles. The calculated electron densities and temperatures for different plasmas optimized for four charge state distributions are discussed.

  14. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study.

    Science.gov (United States)

    Kang, Guo-Jun; Song, Chao; Ren, Xue-Feng

    2016-11-25

    The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH₃-YD2 and TPhe-YD) were systematically investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to reveal the origin of significantly altered charge transfer enhancement by changing the electron donor of the famous porphyrin-based sensitizer YD2-o-C8. The molecular geometries and photophysical properties of dyes before and after binding to the TiO₂ cluster were fully investigated. From the analyses of natural bond orbital (NBO), extended charge decomposition analysis (ECDA), and electron density variations (Δρ) between the excited state and ground state, it was found that the introduction of N(CH₃)₂ and 1,1,2-triphenylethene groups enhanced the intramolecular charge-transfer (ICT) character compared to YD2-o-C8. The absorption wavelength and transition possess character were significantly influenced by N(CH₃)₂ and 1,1,2-triphenylethene groups. NCH₃-YD2 with N(CH₃)₂ groups in the donor part is an effective way to improve the interactions between the dyes and TiO₂ surface, light having efficiency (LHE), and free energy change (ΔG inject ), which is expected to be an efficient dye for use in dye-sensitized solar cells (DSSCs).

  15. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT and Time-Dependent Density Functional Theory (TD-DFT Study

    Directory of Open Access Journals (Sweden)

    Guo-Jun Kang

    2016-11-01

    Full Text Available The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH3-YD2 and TPhe-YD were systematically investigated by density functional theory (DFT and time-dependent density functional theory (TD-DFT to reveal the origin of significantly altered charge transfer enhancement by changing the electron donor of the famous porphyrin-based sensitizer YD2-o-C8. The molecular geometries and photophysical properties of dyes before and after binding to the TiO2 cluster were fully investigated. From the analyses of natural bond orbital (NBO, extended charge decomposition analysis (ECDA, and electron density variations (Δρ between the excited state and ground state, it was found that the introduction of N(CH32 and 1,1,2-triphenylethene groups enhanced the intramolecular charge-transfer (ICT character compared to YD2-o-C8. The absorption wavelength and transition possess character were significantly influenced by N(CH32 and 1,1,2-triphenylethene groups. NCH3-YD2 with N(CH32 groups in the donor part is an effective way to improve the interactions between the dyes and TiO2 surface, light having efficiency (LHE, and free energy change (ΔGinject, which is expected to be an efficient dye for use in dye-sensitized solar cells (DSSCs.

  16. In-vivo comparison of the charge densities required to evoke motor responses using novel annular penetrating microelectrodes

    Directory of Open Access Journals (Sweden)

    Emma Kate Brunton

    2015-05-01

    Full Text Available Electrodes for cortical stimulation need to deliver current to neural tissue effectively and safely. We have developed electrodes with a novel annular geometry for use in cortical visual prostheses. Here we explore a critical question on the ideal annulus height to ensure electrical stimulation will be safe and effective. We implanted single electrodes into the motor cortex of anesthetized rats and measured the current required to evoke a motor response to stimulation, and the charge injection capacity of the electrodes. We compared platinum iridium electrodes with different annulus heights, with and without a coating of porous titanium nitride. Threshold charge densities to evoke a motor response ranged from 12-36 µC.cm^-2.ph^-1. Electrodes with larger geometric surface areas required higher currents to evoke responses, but lower charge densities. The addition of a porous titanium nitride coating did not significantly influence the current required to evoke a motor response. The charge injection capacity of both electrode types was significantly reduced in-vivo compared with in-vitro measurements. The measured charge injection capacity was 72 and 18 µC.cm^-2.ph^-1 for electrodes with and without a titanium nitride coating respectively. These results support the use of platinum iridium annular electrodes with annulus heights greater than 100 µm (geometric surface area of 38, 000 µm^2. However, if the electrodes are coated with porous titanium nitride the annulus height can be reduced to 40 µm (geometric surface area of 16,000 µm^2.

  17. Modeling space-charge-limited currents in organic semiconductors: Extracting trap density and mobility

    KAUST Repository

    Dacuña, Javier

    2011-11-28

    We have developed and have applied a mobility edge model that takes drift and diffusion currents to characterize the space-charge-limited current in organic semiconductors into account. The numerical solution of the drift-diffusion equation allows the utilization of asymmetric contacts to describe the built-in potential within the device. The model has been applied to extract information of the distribution of traps from experimental current-voltage measurements of a rubrene single crystal from Krellner showing excellent agreement across several orders of magnitude in the current. Although the two contacts are made of the same metal, an energy offset of 580 meV between them, ascribed to differences in the deposition techniques (lamination vs evaporation) was essential to correctly interpret the shape of the current-voltage characteristics at low voltage. A band mobility of 0.13cm 2V-1s-1 for holes is estimated, which is consistent with transport along the long axis of the orthorhombic unit cell. The total density of traps deeper than 0.1 eV was 2.2×1016cm -3. The sensitivity analysis and error estimation in the obtained parameters show that it is not possible to accurately resolve the shape of the trap distribution for energies deeper than 0.3 eV or shallower than 0.1 eV above the valence-band edge. The total number of traps deeper than 0.3 eV, however, can be estimated. Contact asymmetry and the diffusion component of the current play an important role in the description of the device at low bias and are required to obtain reliable information about the distribution of deep traps. © 2011 American Physical Society.

  18. Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.

    Science.gov (United States)

    Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-11-15

    A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  19. Determination of Charge-Carrier Mobility in Disordered Thin-Film Solar Cells as a Function of Current Density

    Science.gov (United States)

    Mäckel, Helmut; MacKenzie, Roderick C. I.

    2018-03-01

    Charge-carrier mobility is a fundamental material parameter, which plays an important role in determining solar-cell efficiency. The higher the mobility, the less time a charge carrier will spend in a device and the less likely it is that it will be lost to recombination. Despite the importance of this physical property, it is notoriously difficult to measure accurately in disordered thin-film solar cells under operating conditions. We, therefore, investigate a method previously proposed in the literature for the determination of mobility as a function of current density. The method is based on a simple analytical model that relates the mobility to carrier density and transport resistance. By revising the theoretical background of the method, we clearly demonstrate what type of mobility can be extracted (constant mobility or effective mobility of electrons and holes). We generalize the method to any combination of measurements that is able to determine the mean electron and hole carrier density, and the transport resistance at a given current density. We explore the robustness of the method by simulating typical organic solar-cell structures with a variety of physical properties, including unbalanced mobilities, unbalanced carrier densities, and for high or low carrier trapping rates. The simulations reveal that near VOC and JSC , the method fails due to the limitation of determining the transport resistance. However, away from these regions (and, importantly, around the maximum power point), the method can accurately determine charge-carrier mobility. In the presence of strong carrier trapping, the method overestimates the effective mobility due to an underestimation of the carrier density.

  20. Constraints on rapidity-dependent initial conditions from charged-particle pseudorapidity densities and two-particle correlations

    Science.gov (United States)

    Ke, Weiyao; Moreland, J. Scott; Bernhard, Jonah E.; Bass, Steffen A.

    2017-10-01

    We study the initial three-dimensional spatial configuration of the quark-gluon plasma (QGP) produced in relativistic heavy-ion collisions using centrality and pseudorapidity-dependent measurements of the medium's charged particle density and two-particle correlations. A cumulant-generating function is first used to parametrize the rapidity dependence of local entropy deposition and extend arbitrary boost-invariant initial conditions to nonzero beam rapidities. The model is then compared to p +Pb and Pb + Pb charged-particle pseudorapidity densities and two-particle pseudorapidity correlations and systematically optimized using Bayesian parameter estimation to extract high-probability initial condition parameters. The optimized initial conditions are then compared to a number of experimental observables including the pseudorapidity-dependent anisotropic flows, event-plane decorrelations, and flow correlations. We find that the form of the initial local longitudinal entropy profile is well constrained by these experimental measurements.

  1. Spin polarization driven by a charge-density wave in monolayer 1T−TaS2

    KAUST Repository

    Zhang, Qingyun

    2014-08-06

    Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer T-phase TaS2. We demonstrate that a charge-density wave is energetically favorable at low temperature, similar to bulk 1T-TaS2. Electron-phonon coupling is found to be essential for the lattice reconstruction. The charge-density wave results in a strong localization of the electronic states near the Fermi level and consequently in spin polarization, transforming the material into a magnetic semiconductor with enhanced electronic correlations. The combination of inherent spin polarization with a semiconducting nature distinguishes the monolayer fundamentally from the bulk compound as well as from other two-dimensional transition metal dichalcogenides. Monolayer T-phase TaS2 therefore has the potential to enable two-dimensional spintronics. © 2014 American Physical Society.

  2. Effect of Chemical Pressure on the Charge Density Wave Transition in Rare-Earth Tritellurides RTe3

    Energy Technology Data Exchange (ETDEWEB)

    Ru, N.; Condron, C.L.; Margulis, G.Y.; Shin, K.Y.; Laverock, J.; Dugdale, S.B.; Toney, M.F.; Fisher, I.R.; /Stanford U., Appl. Phys. Dept. /SLAC, SSRL /Bristol U.

    2009-04-30

    The charge density wave transition is investigated in the bilayer family of rare-earth tritelluride RTe{sub 3} compounds (R=Sm, Gd, Tb, Dy, Ho, Er, and Tm) via high-resolution x-ray diffraction and electrical resistivity. The transition temperature increases monotonically with increasing lattice parameter from 244(3) K for TmTe{sub 3} to 416(3) K for SmTe{sub 3}. The heaviest members of the series, R=Dy, Ho, Er, and Tm, are observed to have a second transition at a lower temperature, which marks the onset of an additional charge density wave with wave vector almost equal in magnitude to the first, but oriented in the perpendicular direction.

  3. Flavor structure of the nucleon electromagnetic form factors and transverse charge densities in the chiral quark-soliton model

    Science.gov (United States)

    Silva, António; Urbano, Diana; Kim, Hyun-Chul

    2018-02-01

    We investigate the flavor decomposition of the electromagnetic form factors of the nucleon, based on the chiral quark-soliton model (χQSM) with symmetry-conserving quantization. We consider the rotational 1/N_c and linear strange-quark mass (ms) corrections. We discuss the results of the flavor-decomposed electromagnetic form factors in comparison with the recent experimental data. In order to see the effects of the strange quark, we compare the SU(3) results with those of SU(2). Finally, we discuss the transverse charge densities for both unpolarized and polarized nucleons. The transverse charge density inside a neutron turns out to be negative in the vicinity of the center within the SU(3) χQSM, which can be explained by the contribution of the strange quark.

  4. Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67

    DEFF Research Database (Denmark)

    Chang, J.; Blackburn, E.; Holmes, A. T.

    2012-01-01

    Superconductivity often emerges in the proximity of, or in competition with, symmetry-breaking ground states such as antiferromagnetism or charge density waves (CDW). A number of materials in the cuprate family, which includes the high transition-temperature (high-Tc) superconductors, show spin...... and charge density wave order. Thus a fundamental question is to what extent do these ordered states exist for compositions close to optimal for superconductivity. Here we use high-energy X-ray diffraction to show that a CDW develops at zero field in the normal state of superconducting YBa2Cu3O6.67 (Tc= 67 K......). This sample has a hole doping of 0.12 per copper and a well-ordered oxygen chain superstructure. Below Tc, the application of a magnetic field suppresses superconductivity and enhances the CDW. Hence, the CDW and superconductivity in this typical high-Tc material are competing orders with similar energy...

  5. De Haas-van Alphen oscillations in the charge-density wave compound lanthanum tritelluride (LaTe3)

    Energy Technology Data Exchange (ETDEWEB)

    Ru, N.; /Stanford U., Geballe Lab.; Borzi, R.A.; Rost, A.; Mackenzie, A.P.; /St. Andrews U., Phys. Astron.; Laverock, J.; Dugdale, S.B.; /Bristol U.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2009-12-14

    De Haas-van Alphen oscillations were measured in lanthanum tritelluride (LaTe{sub 3}) to probe the partially gapped Fermi surface resulting from charge density wave (CDW) formation. Three distinct frequencies were observed, one of which can be correlated with a FS sheet that is unaltered by CDW formation. The other two frequencies arise from FS sheets that have been reconstructed in the CDW state.

  6. Experimental Charge Density Study of Trichromium Linear Metal String Complex – Cr3(dpa)4Cl2

    DEFF Research Database (Denmark)

    Wu, Lai-Chin; Cheng, Ming-Chuan; Thomsen, Maja Krüger

    An experimental and theoretical charge density study, based on Bader’s Quantum Theory: Atoms in Molecule (QTAIM), on a trichromium metal string complex, Cr3(dpa)4Cl2(C2H5OC2H5)x(CH2Cl2)1-x (1, dpa- = bis(2-pyridyl)amido)) is performed. The structure and multipole model of 1 are performed by usin...

  7. Electron Density and Temperature During the CHARGE-2B Sounding Rocket Mission

    National Research Council Canada - National Science Library

    Ernstmeyer, James

    1997-01-01

    The CHARGE-2B sounding rocket was launched from Poker Flats Research Range, Alaska, in March 1992 to investigate VLF electromagnetic radiation generated by a modulated electron beam in the ionosphere...

  8. Extracting charge density distributions from diffraction data: a model study on urea

    NARCIS (Netherlands)

    de Vries, R.Y.; Feil, D.; Tsirelson, V.G.

    The quality of the extraction of electron density distributions by means of a multipole refinement method is investigated. Structure factors of the urea crystal have been obtained from an electron density distribution (EDD) resulting from a density function calculation with the CRYSTAL95 package. To

  9. Charge density waves in nanocrystalline thin films of blue bronze K0.3MoO3

    International Nuclear Information System (INIS)

    Starešinić, D.; Dominko, D.; Salamon, K.; Biljaković, K.; Tomeljak, A.; Schäfer, H.; Huber, T.; Demsar, J.; Socol, G.; Ristoscu, C.; Mihailescu, I.N.; Siketić, Z.

    2012-01-01

    Thin granular films of charge density wave (CDW) system K 0.3 MoO 3 were prepared by pulsed laser deposition and investigated by various standard characterization methods such as GI-XRD, electric transport, TOF-ERDA, AFM and UV–visible spectroscopy. While all these methods indicate that the thin films consist of nanometer grains of K 0.3 MoO 3 , it is only the non-destructive femtosecond time-resolved spectroscopy (fsTRS) that demonstrates the charge density wave nature of the ground state and therefore proves directly the presence of K 0.3 MoO 3 . Furthermore, the comparison of the fsTRS data obtained in thin films and in single crystals shows the reduction of the charge density wave transition temperature and of the photoinduced signal strength in granular thin films with respect to single crystals, which is attributed to the granularity and crystal growth morphology. Our results establish fsTRS technique as the essential tool for the detection and characterization of complex ground states in nano-sized systems.

  10. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS2

    Science.gov (United States)

    Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

    2017-11-01

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW → NCCDW transition.

  11. Mapping Optimal Charge Density and Length of ROMP-Based PTDMs for siRNA Internalization.

    Science.gov (United States)

    Caffrey, Leah M; deRonde, Brittany M; Minter, Lisa M; Tew, Gregory N

    2016-10-10

    A fundamental understanding of how polymer structure impacts internalization and delivery of biologically relevant cargoes, particularly small interfering ribonucleic acid (siRNA), is of critical importance to the successful design of improved delivery reagents. Herein we report the use of ring-opening metathesis polymerization (ROMP) methods to synthesize two series of guanidinium-rich protein transduction domain mimics (PTDMs): one based on an imide scaffold that contains one guanidinium moiety per repeat unit, and another based on a diester scaffold that contains two guanidinium moieties per repeat unit. By varying both the degree of polymerization and, in effect, the relative number of cationic charges in each PTDM, the performances of the two ROMP backbones for siRNA internalization were evaluated and compared. Internalization of fluorescently labeled siRNA into Jurkat T cells demonstrated that fluorescein isothiocyanate (FITC)-siRNA internalization had a charge content dependence, with PTDMs containing approximately 40 to 60 cationic charges facilitating the most internalization. Despite this charge content dependence, the imide scaffold yielded much lower viabilities in Jurkat T cells than the corresponding diester PTDMs with similar numbers of cationic charges, suggesting that the diester scaffold is preferred for siRNA internalization and delivery applications. These developments will not only improve our understanding of the structural factors necessary for optimal siRNA internalization, but will also guide the future development of optimized PTDMs for siRNA internalization and delivery.

  12. Modeling on oxide dependent 2DEG sheet charge density and threshold voltage in AlGaN/GaN MOSHEMT

    Science.gov (United States)

    Panda, J.; Jena, K.; Swain, R.; Lenka, T. R.

    2016-04-01

    We have developed a physics based analytical model for the calculation of threshold voltage, two dimensional electron gas (2DEG) density and surface potential for AlGaN/GaN metal oxide semiconductor high electron mobility transistors (MOSHEMT). The developed model includes important parameters like polarization charge density at oxide/AlGaN and AlGaN/GaN interfaces, interfacial defect oxide charges and donor charges at the surface of the AlGaN barrier. The effects of two different gate oxides (Al2O3 and HfO2) are compared for the performance evaluation of the proposed MOSHEMT. The MOSHEMTs with Al2O3 dielectric have an advantage of significant increase in 2DEG up to 1.2 × 1013 cm-2 with an increase in oxide thickness up to 10 nm as compared to HfO2 dielectric MOSHEMT. The surface potential for HfO2 based device decreases from 2 to -1.6 eV within 10 nm of oxide thickness whereas for the Al2O3 based device a sharp transition of surface potential occurs from 2.8 to -8.3 eV. The variation in oxide thickness and gate metal work function of the proposed MOSHEMT shifts the threshold voltage from negative to positive realizing the enhanced mode operation. Further to validate the model, the device is simulated in Silvaco Technology Computer Aided Design (TCAD) showing good agreement with the proposed model results. The accuracy of the developed calculations of the proposed model can be used to develop a complete physics based 2DEG sheet charge density and threshold voltage model for GaN MOSHEMT devices for performance analysis.

  13. The nematicity induced d-symmetry charge density wave in electron-doped iron-pnictide superconductors

    Science.gov (United States)

    Chou, Chung-Pin; Chen, Hong-Yi; Ting, C. S.

    2018-03-01

    The interplay among the nematicity, the stripe spin-density-wave (SDW) order and superconductivity in iron-pnictides is studied in a self-consistent Bogoliubov-de Gennes equations. Our calculations have shown that the nematic-order breaks the degeneracy of dxz and dyz orbitals and causes the elliptic Fermi surface near the Γ point in the normal state. In addition, the appearance of the orthorhombic magnetic fluctuations generates two uneven pairs of peaks at ( ± π, 0) and (0, ± π) in its Fourier transformation. All these are comparing favorably with experimental measurements. In the nematic phase, our results indicate that the charge density and its spatial image in the local density of states exhibit a dx2 -y2-like symmetry. Finally, the complete phase diagram is obtained and the nematic phase is found to be in a narrow region close to the SDW transition in the electron-doped iron-pnictide superconductors.

  14. Relativistic mean field theory with density dependent coupling constants for nuclear matter and finite nuclei with large charge asymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Typel, S.; Wolter, H.H. [Sektion Physik, Univ. Muenchen, Garching (Germany)

    1998-06-01

    Nuclear matter and ground state properties for (proton and neutron) semi-closed shell nuclei are described in relativistic mean field theory with coupling constants which depend on the vector density. The parametrization of the density dependence for {sigma}-, {omega}- and {rho}-mesons is obtained by fitting to properties of nuclear matter and some finite nuclei. The equation of state for symmetric and asymmetric nuclear matter is discussed. Finite nuclei are described in Hartree approximation, including a charge and an improved center-of-mass correction. Pairing is considered in the BCS approximation. Special attention is directed to the predictions for properties at the neutron and proton driplines, e.g. for separation energies, spin-orbit splittings and density distributions. (orig.)

  15. PEDOT-CNT coated electrodes stimulate retinal neurons at low voltage amplitudes and low charge densities.

    Science.gov (United States)

    Samba, R; Herrmann, T; Zeck, G

    2015-02-01

    The aim of this study was to compare two different microelectrode materials--the conductive polymer composite poly-3,4-ethylenedioxythiophene (PEDOT)-carbon nanotube(CNT) and titanium nitride (TiN)--at activating spikes in retinal ganglion cells in whole mount rat retina through stimulation of the local retinal network. Stimulation efficacy of the microelectrodes was analyzed by comparing voltage, current and transferred charge at stimulation threshold. Retinal ganglion cell spikes were recorded by a central electrode (30 μm diameter) in the planar grid of an electrode array. Extracellular stimulation (monophasic, cathodic, 0.1-1.0 ms) of the retinal network was performed using constant voltage pulses applied to the eight surrounding electrodes. The stimulation electrodes were equally spaced on the four sides of a square (400 × 400 μm). Threshold voltage was determined as the pulse amplitude required to evoke network-mediated ganglion cell spiking in a defined post stimulus time window in 50% of identical stimulus repetitions. For the two electrode materials threshold voltage, transferred charge at threshold, maximum current and the residual current at the end of the pulse were compared. Stimulation of retinal interneurons using PEDOT-CNT electrodes is achieved with lower stimulation voltage and requires lower charge transfer as compared to TiN. The key parameter for effective stimulation is a constant current over at least 0.5 ms, which is obtained by PEDOT-CNT electrodes at lower stimulation voltage due to its faradaic charge transfer mechanism. In neuroprosthetic implants, PEDOT-CNT may allow for smaller electrodes, effective stimulation in a safe voltage regime and lower energy-consumption. Our study also indicates, that the charge transferred at threshold or the charge injection capacity per se does not determine stimulation efficacy.

  16. PEDOT-CNT coated electrodes stimulate retinal neurons at low voltage amplitudes and low charge densities

    Science.gov (United States)

    Samba, R.; Herrmann, T.; Zeck, G.

    2015-02-01

    Objective. The aim of this study was to compare two different microelectrode materials—the conductive polymer composite poly-3,4-ethylenedioxythiophene (PEDOT)-carbon nanotube(CNT) and titanium nitride (TiN)—at activating spikes in retinal ganglion cells in whole mount rat retina through stimulation of the local retinal network. Stimulation efficacy of the microelectrodes was analyzed by comparing voltage, current and transferred charge at stimulation threshold. Approach. Retinal ganglion cell spikes were recorded by a central electrode (30 μm diameter) in the planar grid of an electrode array. Extracellular stimulation (monophasic, cathodic, 0.1-1.0 ms) of the retinal network was performed using constant voltage pulses applied to the eight surrounding electrodes. The stimulation electrodes were equally spaced on the four sides of a square (400 × 400 μm). Threshold voltage was determined as the pulse amplitude required to evoke network-mediated ganglion cell spiking in a defined post stimulus time window in 50% of identical stimulus repetitions. For the two electrode materials threshold voltage, transferred charge at threshold, maximum current and the residual current at the end of the pulse were compared. Main results. Stimulation of retinal interneurons using PEDOT-CNT electrodes is achieved with lower stimulation voltage and requires lower charge transfer as compared to TiN. The key parameter for effective stimulation is a constant current over at least 0.5 ms, which is obtained by PEDOT-CNT electrodes at lower stimulation voltage due to its faradaic charge transfer mechanism. Significance. In neuroprosthetic implants, PEDOT-CNT may allow for smaller electrodes, effective stimulation in a safe voltage regime and lower energy-consumption. Our study also indicates, that the charge transferred at threshold or the charge injection capacity per se does not determine stimulation efficacy.

  17. Full charge-density scheme with a kinetic-energy correction: Application to ground-state properties of the 4d metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We present a full charge-density technique to evaluate total energies from the output of self-consistent linear muffin-tin orbitals (LMTO) calculations in the atomic-sphere approximation (ASA). The Coulomb energy is calculated exactly from the complete, nonspherically symmetric charge density...... defined within nonoverlapping, space-filling Wigner-Seitz cells; the exchange-correlation energy is evaluated by means of the local-density approximation or the generalized gradient approximation applied to the complete charge-density; and the ASA kinetic energy is corrected for the nonspherically...... symmetric charge density by a gradient expansion. The technique retains most of the simplicity and the computational efficiency of the LMTO-ASA method, and calculations of atomic volumes and elastic constants of the 4d elements show that it has the accuracy of full-potential methods....

  18. Enhanced charge density wave order in La2-xSrxCuO4 at high magnetic field.

    Science.gov (United States)

    He, Wei; Wen, Jiajia; Jang, Hoyoung; Nojiri, Hiroyuki; Matsuzawa, Satoshi; Song, Sanghoon; Chollet, Matthieu; Zhu, Diling; Fujita, Masaki; Rotundu, Costel R.; Sheckelton, John P.; Jiang, Mingde; Kao, Chi-Chang; Lee, Jun-Sik; Lee, Young S.

    There has been much recent interest in the charge density wave (CDW) order in the cuprate superconductors. An intriguing form of the density wave occurs in the La2CuO4-based family where both the charge and spin form ``stripes'' near 1/8 doping. Charge order has been reported in La2-xSrxCuO4 (LSCO) in zero magnetic field near 1/8 doping that was enhanced in moderate DC fields (up to 10 T). In this talk, I will discuss our recent experiment which combines a pulsed magnet with the x-rays from a free electron laser to characterize the CDW in LSCO with x =0.115 in fields up to 24 Tesla. In contrast to the YBCO family, which shows field-induced 3D CDW order, the field-enhanced CDW order in LSCO remains two-dimensional up to 24 T. Further results regarding the field-dependence and zero-field behavior of the CDW will be discussed. Our study provides important information on the interplay between CDW order and high-Tc superconductivity. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, under contract DE-AC02-76SF00515.

  19. Microtubule Protofilament Number Is Modulated in a Step-Wise Fashion By the Charge of Density of An Enveloping Layer

    International Nuclear Information System (INIS)

    Raviv, U.; Nguyen, T.; Ghafouri, R.; Needleman, D.J.; Li, Y.; Miller, H.P.; Wilson, L.; Bruinsma, R.F.; Safinya, C.R.; UC, Santa Barbara; UCLA

    2007-01-01

    Microtubules are able to adjust their protofilament (PF) number and, as a consequence, their dynamics and function, to the assembly conditions and presence of cofactors. However, the principle behind such variations is poorly understood. Using synchrotron x-ray scattering and transmission electron microscopy, we studied how charged membranes, which under certain conditions can envelop preassembled MTs, regulate the PF number of those MTs. We show that the mean PF number, , is modulated primarily by the charge density of the membranes. decreases in a stepwise fashion with increasing membrane charge density. does not depend on the membrane-protein stoichiometry or the solution ionic strength. We studied the effect of taxol and found that increases logarithmically with taxol/tubulin stoichiometry. We present a theoretical model, which by balancing the electrostatic and elastic interactions in the system accounts for the trends in our findings and reveals an effective MT bending stiffness of order 10-100 k B T/nm, associated with the observed changes in PF number

  20. An exact formula for electromagnetic momentum in terms of the charge density and the Coulomb gauge vector potential

    Science.gov (United States)

    Essén, Hanno

    2018-03-01

    The electromagnetic momentum {\\boldsymbol{p}}=1/(4π c)\\int {\\boldsymbol{E}}× {\\boldsymbol{B}}{{d}}V is sometimes approximated by {{\\boldsymbol{p}}}0=(1/c)\\int \\varrho {\\boldsymbol{A}}{{d}}V, where ϱ is the charge density and {\\boldsymbol{A}} is the Coulomb gauge vector potential. Here, we show that {{\\boldsymbol{p}}}0 is the first term in an exact two-term expression {\\boldsymbol{p}}={{\\boldsymbol{p}}}0+{{\\boldsymbol{p}}}1 where the second term refers to radiation. When the charge density is zero, {\\boldsymbol{p}}={{\\boldsymbol{p}}}1 is the momentum of fields propagating in vacuum. In the presence of charged particles, however, {{\\boldsymbol{p}}}0 normally dominates. We argue that {{\\boldsymbol{p}}}0 is the natural formula for the electromagnetic momentum when radiation can be neglected. It is shown that this term may in fact be much larger than the purely mechanical contribution from mass times velocity.

  1. A simple method of extracting the polarization charge density in the AlGaN/GaN heterostructure from current-voltage and capacitance-voltage characteristics

    International Nuclear Information System (INIS)

    Lü Yuan-Jie; Lin Zhao-Jun; Yu Ying-Xia; Meng Ling-Guo; Cao Zhi-Fang; Luan Chong-Biao; Wang Zhan-Guo

    2012-01-01

    An Ni Schottky contact on the AlGaN/GaN heterostructure is fabricated. The flat-band voltage for the Schottky contact on the AlGaN/GaN heterostructure is obtained from the forward current—voltage characteristics. With the measured capacitance—voltage curve and the flat-band voltage, the polarization charge density in the AlGaN/GaN heterostructure is investigated, and a simple formula for calculating the polarization charge density is obtained and analyzed. With the approach described in this paper, the obtained polarization charge density agrees well with the one calculated by self-consistently solving Schrodinger's and Poisson's equations

  2. Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study

    DEFF Research Database (Denmark)

    Du, Jonathan J.; Hanrahan, Jane Rouse; Solomon, V. Raja

    2018-01-01

    , with the presence of barbital in (3) resulting in the greatest stabilisation. Hydrogen bonds ranging in strength from 4-70 kJ mol-1 were the main stabilising force. Further analysis of the electrostatic potential between (1), (2) and (3) showed significant charge redistribution when co-crystallisation occurred...

  3. Charge density of GaxAl1−xSb

    Indian Academy of Sciences (India)

    approximation (LDA) based methods as LDA underestimates the energy gap [4] and quasi-particle method is very ... Interestingly, the EPM has rarely been applied to unravel band gaps and ionicity in semiconducting alloys. 295 ..... Figures 4b and 3a show that the charge is minimum around Sb anion being nearly half the ...

  4. Picosecond charge transport in rutile at high carrier densities studiedby transient terahertz spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Zajac, Vít; Němec, Hynek; Kužel, Petr

    2016-01-01

    Roč. 94, č. 11 (2016), 1-9, č. článku 115206. ISSN 1098-0121 R&D Projects: GA ČR GA13-12386S Institutional support: RVO:68378271 Keywords : terahertz spectroscopy * charge transport * TiO 2 * rutile * ultrafast spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  5. Charged particle density distributions in Au·Au collisions at ...

    Indian Academy of Sciences (India)

    FOUAD RAMI, for the BRAHMS Collaboration. Institut de Recherches Subatomiques, IN2P3-CNRS, Université Louis Pasteur, Strasbourg, France. Abstract. Charged particle pseudorapidity distributions have been measured in Au·Au collisions using the BRAHMS detector at RHIC. The results are presented as a function of ...

  6. Possible improvements to the self-consistent-charges density-functional tight-binding method within the second order

    Energy Technology Data Exchange (ETDEWEB)

    Bodrog, Zoltan; Aradi, Balint [Bremen Center for Computational Materials Science, University of Bremen (Germany)

    2012-02-15

    Improving the precision of self-consistent-charges density-functional tight-binding method (SCC-DFTB) without losing its computational efficiency is primarily thought and hoped to be possible, if possible at all, by moving beyond its current two-centre-approximative tight-binding structure and the second-order nature of SCC. In this paper, however, we point out that there may still be possibilities of making it more precise without such an extension. Two improvements within the very second-order SCC are proposed here. First, inclusion of a multipole expansion of interacting atomic charge fluctuations, and second, a semi-empirical refinement of their interaction potential profiles and their self-interaction energies. Besides showing in detail what is to be improved with respect to the current SCC-DFTB realizations, we fully derive the respective new formulas ready to implement. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Charge density of GaxAl1−xSb

    Indian Academy of Sciences (India)

    semiconducting compounds and alloys to make heterostructures having applica- tions in photodiodes, heterostructure field effect transistors (HFET) and resonant tunneling diodes (RTD) [3]. To study these semiconducting compounds, empirical pseudopotential method (EPM) is highly suitable, compared to the local density.

  8. Intensity ratio measurements for density sensitive lines of highly charged Fe ions

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Safdar, E-mail: safdaruetian@gmail.com; Shimizu, Erina [Institute for Laser Science, The University of Electro-Communications (Japan); Sakaue, Hiroyuki A.; Kato, Daiji; Murakami, Izumi [National Institute for Fusion Science (Japan); Yamamoto, Norimasa [Chubu University (Japan); Hara, Hirohisa; Watanabe, Tetsuya [The Graduate University of Advanced Studies (SOKENDAI) (Japan); Nakamura, Nobuyuki, E-mail: n-nakamu@ils.uec.ac.jp [Institute for Laser Science, The University of Electro-Communications (Japan)

    2015-11-15

    Intensity ratio of density sensitive emission lines emitted from Fe ions in the extreme ultraviolet region is important for astrophysics applications. We report high-resolution intensity ratio measurements for Fe ions performed at Tokyo EBIT laboratory by employing a flat-field grazing incidence spectrometer. The experimental intensity ratios of Fe X and Fe XII are plotted as a function of electron density for different electron beam currents. The experimental results are compared with the predicted intensity ratios from the model calculations.

  9. Elevated temperature annealing behaviors of bulk resistivity and space charge density (Neff) of neutron irradiated silicon detectors and materials

    International Nuclear Information System (INIS)

    Li, Z.

    1996-01-01

    The bulk resistivity of neutron irradiated detector grade silicon material has been measured under the condition of no or low electrical filed (electrical neutral bulk or ENB condition) after elevated temperature (T=110 C) anneals (ETA). The ENB resistivity (ρ) for as-irradiated silicon material increases with neutron fluence at low fluences (Φ n 13 n/cm 2 ) and starts to saturate at a value between 300-400 kΩ cm at high fluences (Φ n >10 13 n/cm 2 ). The saturation of the ENB resistivity near the intrinsic value can be explained by the near perfect compensation of all neutron induced deep donors and acceptors in the ENB. After ETA, it has been observed that ρ increases with annealing time for silicon materials irradiated below the saturation and decreases with annealing time for those irradiated after saturation. For those irradiated near the saturation point, ρ increases with annealing time initially and decreases thereafter. This ETA behavior of ρ may be explained by the increase of net acceptor-like deep levels in silicon during the anneal, qualitatively consistent with the observed reverse annealing effect of the space charge density (N eff ) in silicon detectors which is an increase of negative space charge density (acceptors) after long term room temperature (RTA) anneal and/or ETA. However, the amount of the increase of net hole concentration (p) of about 5 x 10 11 cm -3 , corresponding to 20 hours of ETA at 110 C for a fluence of 1.5 x 10 14 n/cm 2 , is still much less than the corresponding increase of N eff of about 1.5 x 10 13 cm -3 . This suggests that while the ETA restores some of the free carrier concentration (namely holes), there is still a large degree of compensation. The space charge density is still dominated by the deep levels and N eff ≠p. (orig.)

  10. Constraining the density dependence of the symmetry energy using the multiplicity and average pT ratios of charged pions

    Science.gov (United States)

    Cozma, M. D.

    2017-01-01

    The charged pion multiplicity ratio in intermediate-energy heavy-ion collisions, a probe of the density dependence of symmetry energy above the saturation point, has been proven in a previous study to be extremely sensitive to the strength of the isovector Δ (1232 ) potential in nuclear matter. As there is no knowledge, either from theory or experiment, about the magnitude of this quantity, the extraction of constraints on the slope of the symmetry energy at saturation by using exclusively the mentioned observable is hindered at present. It is shown that, by including the ratio of average pT of charged pions / in the list of fitted observables, the noted problem can be circumvented. A realistic description of this observable requires accounting for the interaction of pions with the dense nuclear matter environment by the incorporation of the so-called S -wave and P -wave pion optical potentials. This is performed within the framework of a quantum molecular dynamics transport model that enforces the conservation of the total energy of the system. It is shown that constraints on the slope of the symmetry energy at saturation density and the strength of the Δ (1232) potential can be simultaneously extracted. A symmetry energy with a value of the slope parameter L >50 MeV is favored, at 1 σ confidence level, from a comparison with published FOPI experimental data. A precise constraint will require experimental data more accurate than presently available, particularly for the charged pion multiplicity ratio, and better knowledge of the density and momentum dependence of the pion potential for the whole range of these two variables probed in intermediate-energy heavy-ion collisions.

  11. Optical Properties of the Charge-Density-Wave Polychalcogenide Compounds R2Te5 (R=Nd, Sm and Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Pfuner, F.; Degiorgi, L.; /Zurich, ETH; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2010-02-15

    We investigate the rare-earth polychalcogenide R{sub 2}Te{sub 5} (R = Nd, Sm and Gd) charge-density-wave (CDW) compounds by optical methods. From the absorption spectrum we extract the excitation energy of the CDW gap and estimate the fraction of the Fermi surface which is gapped by the formation of the CDW condensate. In analogy to previous findings on the related RTe{sub n} (n = 2 and 3) families, we establish the progressive closing of the CDW gap and the moderate enhancement of the metallic component upon chemically compressing the lattice.

  12. The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Khan, Wilayat, E-mail: walayat76@gmail.com [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

    2014-04-01

    Highlights: • FP-LAPW technique is used for calculating the electronic structure. • The band structure shows that the calculated compound is semiconductor. • The complex dielectric function has been calculated. • Nonlinear optical properties has also been calculated. • This compound can be used for molecular engineering of the crystals. - Abstract: Self-consistent calculations is performed using the full potential linear augmented plane wave (FP-LAPW) technique based on density functional theory (DFT) to investigate the electronic band structure, density of states, electronic charge density, linear and non-linear optical properties of α-LiAlTe{sub 2} compound having tetragonal symmetry with space group I4{sup ¯}2d. The electronic structure are calculated using the Ceperley Alder local density approach (CA-LDA), Perdew Burke and Ernzerhof generalize gradient approach (PBE-GGA), Engel–Vosko generalize gradient approach (EVGGA) and modified Becke Johnson approach (mBJ). Band structure calculations of (α-LiAlTe{sub 2}) depict semiconducting nature with direct band gap of 2.35 eV (LDA), 2.48 eV (GGA), 3.05 eV (EVGGA) and 3.13 eV (mBJ), which is comparable to experimental value. The calculated electronic charge density show ionic interaction between Te and Li atoms and polar covalent interaction between Al and Te atoms. Some optical susceptibilities like dielectric constants, refractive index, extension co-efficient, reflectivity and energy loss function have been calculated and analyzed on the basis of electronic structure. The compound α-LiAlTe{sub 2} provides a considerable negative value of birefringence of −0.01. Any anisotropy observed in the linear optical properties which are in favor to enhance the nonlinear optical properties. The symbol χ{sub abc}{sup (2)}(ω) represents the second order nonlinear optical susceptibilities, possess six non-zero components in this symmetry (tetragonal), called: 1 2 3, 2 1 3, 2 3 1, 1 3 2, 3 1 2 and 3 2 1

  13. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb–Pb collisions at √SNN = 5.02 TeV

    NARCIS (Netherlands)

    Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, S.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Janssen, M M; Andrei, C.; Andrews, H. A.; Andronic, A.; Anguelov, V.; Anson, C. D.; Antičić, T.; Antinori, F.; Antonioli, P.; Anwar, R.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barioglio, L.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.|info:eu-repo/dai/nl/411263188; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.|info:eu-repo/dai/nl/371577810; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.|info:eu-repo/dai/nl/371578248; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Boldizsár, L.; Bombara, M.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buhler, P.; Iga Buitron, S. A.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Caines, H.; Caliva, A.|info:eu-repo/dai/nl/411885812; Calvo Villar, E.; Camerini, P.; Capon, A. A.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A R; Ceballos Sanchez, C.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, Sukhee; Chochula, P.; Choi, K.; Chojnacki, M.|info:eu-repo/dai/nl/411888056; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crkovská, J.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; Dasgupta, S. S.; De Caro, A.; De Cataldo, G.; De Conti, C.; De Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; De Souza, R. Derradi; Degenhardt, H. F.; Deisting, A.; Deloff, A.; Deplano, C.; Dhankher, P.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, O.; Dobrin, A.|info:eu-repo/dai/nl/372618715; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.|info:eu-repo/dai/nl/355502488; Ducroux, L.; Duggal, A. K.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erhardt, F.; Espagnon, B.; Esumi, S.; Eulisse, G.; Eum, J.; Evans, D.; Evdokimov, S.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A S; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; De Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Garg, K.; Garg, P.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Gay Ducati, M. B.; Germain, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; Gonzalez, V; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Greiner, L. C.; Grelli, A.|info:eu-repo/dai/nl/326052577; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grion, N.; Gronefeld, J. M.; Grosa, F.; Grosse-Oetringhaus, J. F.; Grosso, R.; Gruber, L.; Grull, F. R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Gupta, R.; Guzman, I. B.; Haake, R.; Hadjidakis, C.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Hellbär, E.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Herrmann, F.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Hladky, J.; Horak, D.; Hosokawa, R.; Hristov, P.; Hughes, C.W.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Ippolitov, M.; Irfan, M.; Isakov, V.; Islam, M. S.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacak, B.; Jacazio, N.; Jacobs, P. M.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jahnke, C.; Jakubowska, M. J.; Janik, M. A.; Jayarathna, P. H S Y; Jena, C.; Jena, S.; Jercic, M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L.D.|info:eu-repo/dai/nl/370530780; Keil, M.; Mohisin Khan, M.; Khan, P.M.; Khan, Shfaqat A.; Khanzadeev, A.; Kharlov, Y.; Khatun, A.; Khuntia, A.; Kielbowicz, M. M.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.-S.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.|info:eu-repo/dai/nl/371571227; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.L.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.|info:eu-repo/dai/nl/362845670; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.|info:eu-repo/dai/nl/074064975; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kundu, Seema; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.|info:eu-repo/dai/nl/355080192; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lapidus, K.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lavicka, R.; Lazaridis, L.; Lea, R.; Leardini, L.; Lee, S.; Lehas, F.|info:eu-repo/dai/nl/411295721; Strunz-Lehner, Christine; Lehrbach, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Litichevskyi, V.; Ljunggren, H. M.; Llope, W. J.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Loncar, P.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.|info:eu-repo/dai/nl/355080400; Lupi, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.|info:eu-repo/dai/nl/412461684; Marín, Alicia; Markert, C.; Marquard, M.; Martin, N. A.; Martinengo, P.; Martinez, J. A. L.; Martínez, Isabel M.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Mastroserio, A.; Mathis, A. M.; Matyja, A.; mayer, C.; Mazer, J.; Mazzilli, M.; Mazzoni, M. A.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Mhlanga, S.; Miake, Y.; Mieskolainen, M. M.; Mihaylov, D. L.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.|info:eu-repo/dai/nl/325781435; Mishra, A. N.; Mishra, T.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.|info:eu-repo/dai/nl/369405870; Mohanty, B.; Montes, E.; Moreira De Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Münning, K.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Myers, C. J.; Naik, B.; Nair, Rajiv; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal Da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Negrao De Oliveira, R. A.; Nellen, L.; Nesbo, S. V.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.|info:eu-repo/dai/nl/07051349X; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Ohlson, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.|info:eu-repo/dai/nl/323375618; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Oravec, M.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pacik, V.; Pagano, D.; Pagano, P.; Paić, G.; Pal, S. K.; Palni, P.; Pan, J.; Pandey, A. K.; Panebianco, S.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, J.; Park, J.-W.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.|info:eu-repo/dai/nl/304833959; Peng, X.; Pereira, L. G.; Pereira Da Costa, H.; Peresunko, D.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Pezzi, R. P.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L M; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Poppenborg, H.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Pozdniakov, V.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Rana, D. B.; Raniwala, R.; Raniwala, S.; Räsänen, S.; Rascanu, B. T.; Rathee, D.; Ratza, V.; Ravasenga, I.; Read, K. F.; Redlich, K.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.|info:eu-repo/dai/nl/413319628; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Saarinen, S.; Sadhu, S.; Sadovsky, S.; Šafařík, K.; Saha, S. K.; Sahlmuller, B.; Sahoo, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sandoval, A.; Sarkar, D.; Sarkar, N.; Sarma, P.; Sas, M. H.P.|info:eu-repo/dai/nl/413332993; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schmidt, M. O.; Schmidt, M.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. 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C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zimmermann, S.; Zinovjev, G.; Zmeskal, J.

    2017-01-01

    We present the charged-particle pseudorapidity density in Pb–Pb collisions at √SNN = 5.02 TeV in centrality classes measured by ALICE. The measurement covers a wide pseudorapidity range from −3.5 to 5, which is sufficient for reliable estimates of the total number of charged particles produced in

  14. Surface-enhanced charge-density-wave instability in underdoped Bi2Sr2-xLaxCuO6+delta

    NARCIS (Netherlands)

    Rosen, J. A.; Comin, R.; Levy, G.; Fournier, D.; Zhu, Z. -H.; Ludbrook, B.; Veenstra, C. N.; Nicolaou, A.; Wong, D.; Dosanjh, P.; Yoshida, Y.; Eisaki, H.; Blake, G. R.; White, F.; Palstra, T. T. M.; Sutarto, R.; He, F.; Pereira, A. Frano; Lu, Y.; Keimer, B.; Sawatzky, G.; Petaccia, L.; Damascelli, A.

    Neutron and X-ray scattering experiments have provided mounting evidence for spin and charge ordering phenomena in underdoped cuprates. These range from early work on stripe correlations in Nd-LSCO to the latest discovery of charge-density-waves in YBa2Cu3O6 + x. Both phenomena are characterized by

  15. A Study of the Relationship between Average Transverse Momentum and Charged Pseudorapidity Density for Pions and Antiprotons at Tevatron Energies

    Energy Technology Data Exchange (ETDEWEB)

    Cole, Philip Lawrence [Purdue U.

    1991-12-01

    The transverse momentum of $\\pi^{\\pm}$ and $\\overline{p}$ produced within the pseudorapidity range of $\\eta$ = -0.36 to +1.0 and azimuthal range of $\\phi$ = +2° to $\\phi$ = +18° has been measured in $\\overline{p}p$ collisions at $\\sqrt{s}$ = 546, 1000 and 1800 GeV. The charged multiplicity of each event was measured by either the 240 element cylindrical hodoscope covering the range -3.25 < $\\eta$ < +3.25 or the central drift chamber, which spans a pseudorapidity range of 3.2 units. The average transverse momentum as a function of the pseudorapidity density for mass-identified particles is presented. Pseudorapidity densities as high as 30 particles per unit pseudorapidity have been observed.

  16. Strong electron-lattice coupling as the mechanism behind charge density wave transformations in transition-metal dichalcogenides

    Science.gov (United States)

    Gor'kov, Lev P.

    2012-04-01

    We consider a single band of conduction electrons interacting with displacements of the transitional ions. In the classical regime strong enough coupling transforms the harmonic elastic energy for an ion to the one of the well with two deep minima, so that the system is described in terms of Ising spins. Intersite interactions order spins at lower temperatures. Extension to the quantum regime is discussed. Below the charge density wave (CDW) transition the energy spectrum of electrons remains metallic because the structural vector Q and the Fermi surface sizes are not related. Large values of the CDW gap seen in the tunneling experiments correspond to the energy of the minima in the electron-ion two-well complex. The gap is defined through the density of states inside the electronic bands below the CDW transition. We focus mainly on electronic properties of transition-metal dichalcogenides.

  17. High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

    KAUST Repository

    Nazir, Safdar

    2011-08-05

    The formation of a (quasi) two-dimensional electron gas between the band insulators NaTaO3 and SrTiO3 is studied by means of the full-potential linearized augmented plane-wave method of density functional theory. Optimization of the atomic positions points to only small changes in the chemical bonding at the interface. Both the p-type (NaO)−/(TiO2)0 and n-type (TaO2)+/(SrO)0 interfaces are found to be metallic with high charge carrier densities. The effects of O vacancies are discussed. Spin-polarized calculations point to the formation of isolated O 2pmagnetic moments, located in the metallic region of the p-type interface.

  18. Density functional theory for disordered alloys with short-range order: Systematic inclusion of charge-correlation effects

    Science.gov (United States)

    Rowlands, D. A.; Ernst, A.; Györffy, B. L.; Staunton, J. B.

    2006-04-01

    For many years, density-functional-based calculations for the total energies of substitutionally disordered alloys have been based upon the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA). However, as a result of the single-site nature of the KKR-CPA, such calculations do not take into account important local environmental effects such as charge correlations (the Madelung energy) and chemical short-range order (SRO). Here the above approach is generalized by combining the recently developed Korringa-Kohn-Rostoker nonlocal coherent-potential approximation with density functional theory, showing how these effects may be systematically taken into account. As a first application of the theory, total energy calculations for the bcc Cu50Zn50 solid solution are presented, showing how the total energy varies as a function of SRO. The fcc Cu60Pd40 and Cu77Ni23 systems are also investigated.

  19. Pseudorapidity density of charged particles p-Pb collisions at $\\sqrt{s_{NN}}$ = 5.02 TeV

    CERN Document Server

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Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Coccetti, Fabrizio; Colamaria, Fabio; Colella, Domenico; Collu, Alberto; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Connors, Megan Elizabeth; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortese, Pietro; Cortes Maldonado, Ismael; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cruz Alaniz, Emilia; Cuautle, Eleazar; Cunqueiro, Leticia; Dainese, Andrea; Dalsgaard, Hans Hjersing; Danu, Andrea; Das, Kushal; Das, Indranil; Das, Supriya; Das, Debasish; Dash, Sadhana; Dash, Ajay Kumar; De, Sudipan; de Barros, Gabriel; De Caro, Annalisa; 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Ladron de Guevara, Pedro; Lakomov, Igor; Langoy, Rune; La Pointe, Sarah Louise; Lara, Camilo Ernesto; Lardeux, Antoine Xavier; La Rocca, Paola; Lea, Ramona; Lechman, Mateusz; Lee, Ki Sang; Lee, Sung Chul; Lee, Graham Richard; Legrand, Iosif; Lehnert, Joerg Walter; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon, Hermes; Leoncino, Marco; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Levai, Peter; Lien, Jorgen; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Loenne, Per-Ivar; Loggins, Vera; Loginov, Vitaly; Lohner, Daniel; Loizides, Constantinos; Loo, Kai Krister; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luo, Jiebin; Luparello, Grazia; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Ludmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Mangotra, Lalit Kumar; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martashvili, Irakli; Martin, Nicole Alice; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Davalos, Arnulfo; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matthews, Zoe Louise; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mercado Perez, Jorge; Meres, Michal; Miake, Yasuo; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mizuno, Sanshiro; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Monteno, Marco; Montes, Esther; Moon, Taebong; Morando, Maurizio; Moreira De Godoy, Denise Aparecida; Moretto, Sandra; Morreale, Astrid; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhuri, Sanjib; Mukherjee, Maitreyee; Muller, Hans; Munhoz, Marcelo; Musa, Luciano; Musso, Alfredo; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Nattrass, Christine; Navin, Sparsh; Nayak, Tapan Kumar; Nazarenko, Sergey; Nedosekin, Alexander; Nicassio, Maria; Niculescu, Mihai; Nielsen, Borge Svane; Niida, Takafumi; Nikolaev, Sergey; Nikolic, Vedran; Nikulin, Vladimir; Nikulin, Sergey; Nilsen, Bjorn Steven; Nilsson, Mads Stormo; Noferini, Francesco; Nomokonov, Petr; Nooren, Gerardus; Novitzky, Norbert; Nyanin, Alexandre; Nyatha, Anitha; Nygaard, Casper; Nystrand, Joakim Ingemar; Ochirov, Alexander; Oeschler, Helmut Oskar; Oh, Sun Kun; Oh, Saehanseul; Oleniacz, Janusz; Oliveira Da Silva, Antonio Carlos; Oppedisano, Chiara; Ortiz Velasquez, Antonio; Oskarsson, Anders Nils Erik; Ostrowski, Piotr Krystian; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozawa, Kyoichiro; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Papikyan, Vardanush; Pappalardo, Giuseppe; Park, Woo Jin; Passfeld, Annika; Pastircak, Blahoslav; Patalakha, Dmitri Ivanovich; Paticchio, Vincenzo; Paul, Biswarup; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Pereira De Oliveira Filho, Elienos; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perini, Diego; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Peskov, Vladimir; Pestov, Yury; Petracek, Vojtech; Petran, Michal; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Piccotti, Anna; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piyarathna, Danthasinghe; Planinic, Mirko; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pocheptsov, Timur; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polak, Karel; Polichtchouk, Boris; Pop, Amalia; Porteboeuf-Houssais, Sarah; Pospisil, Vladimir; Potukuchi, Baba; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puddu, Giovanna; Punin, Valery; Putis, Marian; Putschke, Jorn Henning; Quercigh, Emanuele; Qvigstad, Henrik; Rachevski, Alexandre; Rademakers, Alphonse; Raiha, Tomi Samuli; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Ramirez Reyes, Abdiel; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Rascanu, Bogdan Theodor; Rathee, Deepika; Read, Kenneth Francis; Real, Jean-Sebastien; Redlich, Krzysztof; Reed, Rosi Jan; Rehman, Attiq Ur; Reichelt, Patrick; Reicher, Martijn; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Rettig, Felix Vincenz; Revol, Jean-Pierre; Reygers, Klaus Johannes; Riccati, Lodovico; Ricci, Renato Angelo; Richert, Tuva; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Rodriguez Cahuantzi, Mario; Rodriguez Manso, Alis; Roed, Ketil; Rohr, David; Rohrich, Dieter; Romita, Rosa; Ronchetti, Federico; Rosnet, Philippe; Rossegger, Stefan; Rossi, Andrea; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Russo, Riccardo; Ryabinkin, Evgeny; Rybicki, Andrzej; Sadovsky, Sergey; Safarik, Karel; Sahoo, Raghunath; Sahu, Pradip Kumar; Saini, Jogender; Sakaguchi, Hiroaki; Sakai, Shingo; Sakata, Dosatsu; Salgado, Carlos Albert; Salzwedel, Jai; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sanchez Castro, Xitzel; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sano, Satoshi; Santagati, Gianluca; Santoro, Romualdo; Sarkamo, Juho Jaako; Scapparone, Eugenio; Scarlassara, Fernando; Scharenberg, Rolf Paul; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schreiner, Steffen; Schuchmann, Simone; Schukraft, Jurgen; Schuster, Tim; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Patrick Aaron; Scott, Rebecca; Segato, Gianfranco; Selyuzhenkov, Ilya; Senyukov, Serhiy; Seo, Jeewon; Serci, Sergio; Serradilla, Eulogio; Sevcenco, Adrian; Shabetai, Alexandre; Shabratova, Galina; Shahoyan, Ruben; Sharma, Satish; Sharma, Natasha; Sharma, Rohini; Shigaki, Kenta; Shtejer, Katherin; Sibiriak, Yury; Siciliano, Melinda; Siddhanta, Sabyasachi; Siemiarczuk, Teodor; Silvermyr, David Olle Rickard; Silvestre, Catherine; Simatovic, Goran; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Singha, Subhash; Singhal, Vikas; Sinha, Bikash; Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Skjerdal, Kyrre; Smakal, Radek; Smirnov, Nikolai; Snellings, Raimond; Sogaard, Carsten; Soltz, Ron Ariel; Son, Hyungsuk; Song, Jihye; Song, Myunggeun; Soos, Csaba; Soramel, Francesca; Sputowska, Iwona; Spyropoulou-Stassinaki, Martha; Srivastava, Brijesh Kumar; Stachel, Johanna; Stan, Ionel; Stan, Ionel; Stefanek, Grzegorz; Steinpreis, Matthew; Stenlund, Evert Anders; Steyn, Gideon Francois; Stiller, Johannes Hendrik; Stocco, Diego; Stolpovskiy, Mikhail; Strmen, Peter; Suaide, Alexandre Alarcon do Passo; Subieta Vasquez, Martin Alfonso; Sugitate, Toru; Suire, Christophe Pierre; Sultanov, Rishat; Sumbera, Michal; Susa, Tatjana; Symons, Timothy; Szanto de Toledo, Alejandro; Szarka, Imrich; Szczepankiewicz, Adam; Szostak, Artur Krzysztof; Szymanski, Maciej; Takahashi, Jun; Tapia Takaki, Daniel Jesus; Tarantola Peloni, Attilio; Tarazona Martinez, Alfonso; Tauro, Arturo; Tejeda Munoz, Guillermo; Telesca, Adriana; Terrevoli, Cristina; Thader, Jochen Mathias; Thomas, Deepa; Tieulent, Raphael Noel; Timmins, Anthony; Tlusty, David; Toia, Alberica; Torii, Hisayuki; Toscano, Luca; Trubnikov, Victor; Truesdale, David Christopher; Trzaska, Wladyslaw Henryk; Tsuji, Tomoya; Tumkin, Alexandr; Turrisi, Rosario; Tveter, Trine Spedstad; Ulery, Jason Glyndwr; Ullaland, Kjetil; Ulrich, Jochen; Uras, Antonio; Urban, Jozef; Urciuoli, Guido Marie; Usai, Gianluca; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; Vande Vyvre, Pierre; van Leeuwen, Marco; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Veldhoen, Misha; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Alexander; Vinogradov, Yury; Vinogradov, Leonid; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; von Haller, Barthelemy; Vorobyev, Ivan; Vranic, Danilo; Vrlakova, Janka; Vulpescu, Bogdan; Vyushin, Alexey; Wagner, Vladimir; Wagner, Boris; Wan, Renzhuo; Wang, Yaping; Wang, Mengliang; Wang, Dong; Wang, Yifei; Watanabe, Kengo; Weber, Michael; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Grzegorz Andrzej; Wilk, Alexander; Williams, Crispin; Windelband, Bernd Stefan; Xaplanteris Karampatsos, Leonidas; Yaldo, Chris G; Yamaguchi, Yorito; Yang, Shiming; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yoo, In-Kwon; Yoon, Jongik; Yu, Weilin; Yuan, Xianbao; Yushmanov, Igor; Zaccolo, Valentina; Zach, Cenek; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zaviyalov, Nikolai; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhou, Fengchu; Zhou, Daicui; Zhou, You; Zhu, Jianhui; Zhu, Hongsheng; Zhu, Jianlin; Zhu, Xiangrong; Zichichi, Antonino; Zimmermann, Alice; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo; Zyzak, Maksym

    2013-01-18

    The charged-particle pseudorapidity density measured over 4 units of pseudorapidity in non-single-diffractive (NSD) p-Pb collisions at a centre-of-mass energy per nucleon pair $\\sqrt{s_{NN}}$ = 5.02 TeV is presented. The average value at midrapidity is measured to be 16.81 $\\pm$ 0.71 (syst.), which corresponds to 2.14 $\\pm$ 0.17 (syst.) per participating nucleon. This is 16% lower than in NSD pp collisions interpolated to the same collision energy, and 84% higher than in d-Au collisions at $\\sqrt{s_{NN}}$ = 0.2 TeV. The measured pseudorapidity density in p-Pb collisions is compared to model predictions, and provides new constraints on the description of particle production in high-energy nuclear collisions.

  20. Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid.

    Science.gov (United States)

    Nguyen, Thanh Ha; Howard, Sian T; Hanrahan, Jane R; Groundwater, Paul W; Platts, James A; Hibbs, David E

    2012-06-14

    The experimental charge density distributions in a host-guest complex have been determined. The host, 1,4-bis[[(6-methylpyrid-2-yl)amino]carbonyl]benzene (1) and guest, adipic acid (2). The molecular geometries of 1 and 2 are controlled by the presence in the complex of intermolecular hydrogen bonding interactions and the presence in the host 1 of intramolecular hydrogen bonding motifs. This system therefore serves as an excellent model for studying noncovalent interactions and their effects on structure and electron density, and the transferability of electron distribution properties between closely related molecules. For the complex, high resolution X-ray diffraction data created the basis for a charge density refinement using a pseudoatomic multipolar expansion (Hansen-Coppens formalism) against extensive low-temperature (T = 100 K) single-crystal X-ray diffraction data and compared with a selection of theoretical DFT calculations on the same complex. The molecules crystallize in the noncentrosymmetric space group P2(1)2(1)2(1) with two independent molecules in the asymmetric unit. A topological analysis of the resulting density distribution using the atoms in molecules methodology is presented along with multipole populations, showing that the host and guest structures are relatively unaltered by the geometry changes on complexation. Three separate refinement protocols were adopted to determine the effects of the inclusion of calculated hydrogen atom anisotropic displacement parameters on hydrogen bond strengths. For the isotropic model, the total hydrogen bond energy differs from the DFT calculated value by ca. 70 kJ mol(-1), whereas the inclusion of higher multipole expansion levels on anisotropic hydrogen atoms this difference is reduced to ca. 20 kJ mol(-l), highlighting the usefulness of this protocol when describing H-bond energetics.

  1. Variation of interface trap level charge density within the bandgap of ...

    Indian Academy of Sciences (India)

    Abstract. Interfacial characteristics of metal oxide-silicon carbide (MOSiC) structure with differ- ent thickness of SiO2, thermally grown in steam ambient on Si-face of 4H-SiC (0 0 0 1) substrate were investigated. Variations in interface trapped level density (Dit) was systematically studied employing high-low (H-L) frequency ...

  2. The experimental charge density in sulfur containing molecules: a study of the deformation electron density in sulfamic acid at 78K by X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Bats, J.W.; Coppens, P.

    1977-01-01

    The deformation electron density in sulfamic acid (H 3 NSO 3 ) has been determined by a combined X-ray and neutron diffraction study at 78 K. X-N maps show strong bound populations in all bonds. The nature of the S-N and S-O is found to be similar to bonds between first-row atoms. The O atoms show single, fairly broad lone-pair peaks and are shifted towards the lone pairs in comparison with the neutron parameters. This shift disappears when only X-ray reflections with sin theta/lambda>0.85A -1 are considered. A population analysis shows a net charge of +0.7 to +1.0 e on the S atom, -0.3 to -0.5 e on the O atoms and + 0.12 e on the H atoms, while the N atom is close to neutral. (Auth.)

  3. Water-induced charge transport in tablets of microcrystalline cellulose of varying density: dielectric spectroscopy and transient current measurements

    International Nuclear Information System (INIS)

    Nilsson, Martin; Alderborn, Goeran; Stroemme, Maria

    2003-01-01

    Room temperature dielectric frequency response data taken over 13 decades in frequency on microcrystalline cellulose (MCC) tablets of varying density are presented. The frequency response shows on three different processes: the first one is a high-frequency relaxation process whose magnitude increases and reaches a plateau as the tablet density increases. This process is associated with orientational motions of local chain segments via glycosidic bonds. The second relaxation process, related to the presence of water in the MCC matrix, is insensitive to changes in tablet density. At lower frequencies, dc-like imperfect charge transport dominates the dielectric spectrum. The dc conductivity was found to decrease with increasing tablet density and increase exponentially with increasing humidity. Transient current measurements indicated that two different ionic species, protons and OH - ions, lied behind the observed conductivity. At ambient humidity of 22%, only one in a billion of the water molecules present in the tablet matrix participated in long range dc conduction. The diffusion coefficient of the protons and OH - ions were found to be of the order of 10 -9 cm 2 /s, which is the same as for small salt building ions in MCC. This shows that ionic drugs leaving a tablet matrix may diffuse in the same manner as the constituent ions of water and, thus, elucidates the necessity to understand the water transport properties of excipient materials to be able to tailor the drug release process from pharmaceutical tablets

  4. Extracting dielectric fixed charge density on highly doped crystalline-silicon surfaces using photoconductance measurements

    Science.gov (United States)

    To, A.; Hoex, B.

    2017-11-01

    A novel method for the extraction of fixed interface charge, Qf, and the surface recombination parameters, Sn0 and Sp0, from the injection-level dependent effective minority carrier lifetime measurements is presented. Unlike conventional capacitance-voltage measurements, this technique can be applied to highly doped surfaces provided the surface carrier concentration transitions into strong depletion or inversion with increased carrier injection. By simulating the injection level dependent Auger-corrected inverse lifetime curve of symmetrically passivated and diffused samples after sequential annealing and corona charging, it was revealed that Qf, Sn0, and Sp0 have unique signatures. Therefore, these important electronic parameters, in some instances, can independently be resolved. Furthermore, it was shown that this non-linear lifetime behaviour is exhibited on both p-type and n-type diffused inverted surfaces, by demonstrating the approach with phosphorous diffused n+pn+ structures and boron diffused p+np+ structures passivated with aluminium oxide (AlOx) and silicon nitride, respectively (SiNx). The results show that the approximation of a mid-gap Shockley-Read-Hall defect level with equal capture cross sections is able to, in the samples studied in this work, reproduce the observed injection level dependent lifetime behaviour.

  5. Nonperturbative vacuum polarization effects in two-dimensional supercritical Dirac-Coulomb system I. Vacuum charge density

    Science.gov (United States)

    Davydov, A.; Sveshnikov, K.; Voronina, Yu.

    2018-01-01

    Based on the original combination of analytical methods, computer algebra tools and numerical calculations, proposed recently in Refs. 1-3, the nonperturbative vacuum polarization effects in the 2+1D supercritical Dirac-Coulomb system with Z > Zcr,1 are explored. Both the vacuum charge density ρV P(r→) and vacuum energy ℰV P are considered. The main result of the work is that in the overcritical region ℰV P turns out to be a rapidly decreasing function ˜-ηeffZ3/R with ηeff > 0 and R being the size of the external Coulomb source. Due to a lot of details of calculation the whole work is divided into two parts I and II. In the present part I, we consider the evaluation and behavior of the vacuum density ρV P, which further is used in part II for evaluation of the vacuum energy, with emphasis on the renormalization, convergence of the partial expansion for ρV P and behavior of the integral induced charge QV P in the overcritical region.

  6. Electronic structure of SnF{sub 3}: An example of valence skipper which forms charge density wave

    Energy Technology Data Exchange (ETDEWEB)

    Hase, I., E-mail: i.hase@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Yanagisawa, T. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Kawashima, K. [IMRA Material R& D Co., LTD., Kariya, Aichi 448-0032 (Japan)

    2016-11-15

    Highlights: • We calculated the electronic structure of SnF{sub 3} and BaBiO{sub 3} from first principles. • As for SnF{sub 3}, charge-density-wave (CDW) is found, which agrees with the experiment. • As for BaBiO{sub 3}, CDW is not found, contrary to the experiment. • We conclude that the CDW is hard in SnF{sub 3} and is soft in BaBiO{sub 3}. - Abstract: In the present study we calculated the electronic structure of the valence skipping compound SnF{sub 3} and BaBiO{sub 3} from first-principles. We confirmed that the charge-density-wave (CDW) is formed in SnF{sub 3}, and the Sn atoms in two crystallographic different sites take the valence Sn{sup 2+} and Sn{sup 4+}. Structure optimization study reveals that this CDW is stable, though the atomic position is slightly different from the experimental data. This behavior is in contrast with the case of BaBiO{sub 3}, where the structure optimization leads to the uniform state, which means that two Bi sites are equivalent. The CDW state is hard in SnF{sub 3}, which means that the CDW gap is large enough and it is difficult to melt this CDW order.

  7. Optimization of tetravalent manganese feroxyhyte's negative charge density: A high-performing mercury adsorbent from drinking water.

    Science.gov (United States)

    Kokkinos, E; Simeonidis, K; Pinakidou, F; Katsikini, M; Mitrakas, M

    2017-01-01

    This study demonstrates an optimization procedure for the development of an Hg-specified adsorbent able to comply with the regulation limit for drinking water of 1μg/L. On this purpose, the synthesis of Mn(IV)-feroxyhyte was modified to achieve high negative charge density by combining alkaline and extreme oxidizing conditions. In particular, precipitation of FeSO 4 at pH9 and excess of KMnO 4 follows a very fast nucleation step providing a product with very small nanocrystal size (1-2nm), high specific surface area (300m 2 /g) and maximum negative charge density (1.8mmol H + /g). The adsorbent was validated for Hg removal in batch experiments and column tests using natural-like water indicating an adsorption capacity as high as 2.5μg/mg at equilibrium concentration 1μg/L under reliable conditions of application. Importantly, the adsorption is an exothermic spontaneous process, resulting in the formation of inner sphere complexes by sharing both A-type and B-type oxygen atoms with the metal surface octahedral as revealed by the X-ray absorption fine structure results. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Exchange correlation effects on plasmons and on charge-density wave instability in narrow-band quasi-one-dimensional metals

    International Nuclear Information System (INIS)

    Nobile, A.; Tosatti, E.

    1979-05-01

    The coexistence of tight-binding and exchange-correlation effects inside each chain of a model quasi-one-dimensional metal, on both plasmon and charge density wave properties have been studied. The results, while in qualitative agreement with other treatments of the problem at long wavelengths, indicate a strong tendency for plasmons to turn into excitons at larger momenta, and to exhibit an ''excitonic'' charge-density wave instability at k approximately 2ksub(F). The nature of the plasmon branches and of the excitonic charge distortion is examined. Relevance to existing quasi-one-dimensional materials is also discussed. (author)

  9. Charge decay characteristics of silicon-oxide-nitride-oxide-silicon structure at elevated temperatures and extraction of the nitride trap density distribution

    Science.gov (United States)

    Kim, Tae Hun; Sim, Jae Sung; Lee, Jong Duk; Shin, Hyung Cheol; Park, Byung-Gook

    2004-07-01

    We investigated the charge decay characteristics of a silicon-oxide-nitride-oxide-silicon type nonvolatile memory at elevated temperatures. Based on the amphoteric trap model and the thermal emission model of the trapped charge, we propose an advanced charge decay model which includes the effect of the bottom oxide, and apply it to extraction of the trap density distribution in energy levels of the nitride layer. The samples prepared have nitride films deposited simultaneously and are classified into two groups according to the thickness of the bottom oxide. The trap density distributions extracted from two groups showed good consistency.

  10. Charge localization and ordering in A2Mn8O16 hollandite group oxides: Impact of density functional theory approaches

    Science.gov (United States)

    Kaltak, Merzuk; Fernández-Serra, Marivi; Hybertsen, Mark S.

    2017-12-01

    The phases of A2Mn8O16 hollandite group oxides emerge from the competition between ionic interactions, Jahn-Teller effects, charge ordering, and magnetic interactions. Their balanced treatment with feasible computational approaches can be challenging for commonly used approximations in density functional theory. Three examples (A = Ag, Li, and K) are studied with a sequence of different approximate exchange-correlation functionals. Starting from a generalized gradient approximation (GGA), an extension to include van der Waals interactions and a recently proposed meta-GGA are considered. Then local Coulomb interactions for the Mn 3 d electrons are more explicitly considered with the DFT + U approach. Finally, selected results from a hybrid functional approach provide a reference. Results for the binding energy of the A species in the parent oxide highlight the role of van der Waals interactions. Relatively accurate results for insertion energies can be achieved with a low-U and a high-U approach. In the low-U case, the materials are described as band metals with a high-symmetry, tetragonal crystal structure. In the high-U case, the electrons donated by A result in formation of local Mn3 + centers and corresponding Jahn-Teller distortions characterized by a local order parameter. The resulting degree of monoclinic distortion depends on charge ordering and magnetic interactions in the phase formed. The reference hybrid functional results show charge localization and ordering. Comparison to low-temperature experiments of related compounds suggests that charge localization is the physically correct result for the hollandite group oxides studied here. Finally, while competing effects in the local magnetic coupling are subtle, the fully anisotropic implementation of DFT + U gives the best overall agreement with results from the hybrid functional.

  11. Measurement of the charged pion mass using a low-density target of light atoms

    International Nuclear Information System (INIS)

    Trassinelli, M.; Anagnostopoulos, D.F.; Borchert, G.; Dax, A.; Egger, J.-P.; Gotta, D.; Hennebach, M.; Indelicato, P.; Liu, Y.-W.; Manil, B.; Nelms, N.; Simons, L.M.; Wells, A.

    2016-01-01

    We present a new evaluation of the negatively charged pion mass based on the simultaneous spectroscopy of pionic nitrogen and muonic oxygen transitions using a gaseous target composed by a N 2 /O 2 mixture at 1.4 bar. We present the experimental set-up and the methods for deriving the pion mass value from the spatial separation from the 5g − 4f πN transition line and the 5g − 4f μO transition line used as reference. Moreover, we discuss the importance to use dilute targets in order to minimize the influence of additional spectral lines from the presence of remaining electrons during the radiative emission. The occurrence of possible satellite lines is investigated via hypothesis testing methods using the Bayes factor.

  12. Irradiation of layered metallic dichalcogenides: disorder in the charge density waves

    International Nuclear Information System (INIS)

    Mutka, Hannu.

    1983-01-01

    This thesis is an experimental study on electron-irradiated metallic layer compounds (VSe 2 , NbSe 2 , TaS 2 , TaSe 2 ). The metal atoms displaced by irradiation remain in the form of stable defects up to 300 K; their concentration (10 - 5 ... 10 - 2 )is known from measurements of displacement threshold energy and magnetic susceptibility. The effect of these defects on the charge densite wave (CDW) phases and on the electronic and superconducting properties forms the major part of this study. In 1T-TaS 2 , a microstructure of CDW domains pinned to defects is observed by electron microscopy. The effects of this kind of disorder are also manifest in the thermodynamic properties of the CDW and in the electronic transport, as well as in the superconducting properties [fr

  13. Measurement of the charged pion mass using a low-density target of light atoms

    Science.gov (United States)

    Trassinelli, M.; Anagnostopoulos, D. F.; Borchert, G.; Dax, A.; Egger, J.-P.; Gotta, D.; Hennebach, M.; Indelicato, P.; Liu, Y.-W.; Manil, B.; Nelms, N.; Simons, L. M.; Wells, A.

    2016-11-01

    We present a new evaluation of the negatively charged pion mass based on the simultaneous spectroscopy of pionic nitrogen and muonic oxygen transitions using a gaseous target composed by a N2/O2 mixture at 1.4 bar. We present the experimental set-up and the methods for deriving the pion mass value from the spatial separation from the 5g - 4f πN transition line and the 5g - 4f μO transition line used as reference. Moreover, we discuss the importance to use dilute targets in order to minimize the influence of additional spectral lines from the presence of remaining electrons during the radiative emission. The occurrence of possible satellite lines is investigated via hypothesis testing methods using the Bayes factor.

  14. The Effect of Etching Gases on Notching and Charging in High-Density Plasma

    Science.gov (United States)

    Tabara, Suguru

    1998-06-01

    A comparison of notching of metal etching in Cl2/BCl3 and HCl plasma was carried out using a transformer coupled plasma (TCP) etcher. We observed that notches can be reduced by eliminating BCl3 from the gases for overetching. Furthermore, the HCl overetch process provides notch-free profiles with high selectivities. The reduction in the sidewall attack by heavy ions (e.g., BCl2+ or BCl3+) and the scavenging of excess Cl radicals by H radicals are considered to be possible causes for the reduced notching in the HCl process. The neutralization of the negatively charged upper photoresist sidewalls by H+ ions is also thought to be the cause for the reduction in the electron shading damage and notching.

  15. Standard hydrogen electrode and potential of zero charge in density functional calculations

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Björketun, Mårten; Skúlason, Egill

    2011-01-01

    Methods to explicitly account for half-cell electrode potentials have recently appeared within the framework of density functional theory. The potential of the electrode relative to the standard hydrogen electrode is typically determined by subtracting the experimental value of the absolute...... possess in order for its computed ASHEP to closely match the experimental benchmark. We capture and quantify these three effects by calculating trends in the ASHEP and PZC on eight close-packed transition metals, considering the four most simple and representative water models. Finally, it is also...

  16. Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution

    DEFF Research Database (Denmark)

    Merlot, Patrick; Izsak, Robert; Borgoo, Alex

    2014-01-01

    Three new variants of the auxiliary-density-matrix method (ADMM) of Guidon, Hutter, and VandeVondele [J. Chem. Theory Comput. 6, 2348 (2010)] are presented with the common feature thatthey have a simplified constraint compared with the full orthonormality requirement of the earlier ADMM1 method....... All ADMM variants are tested for accuracy and performance in all-electron B3LYP calculations with several commonly used basis sets. The effect of the choice of the exchange functional for the ADMM exchange–correction term is also investigated....

  17. Ultrafast dynamics in CeTe{sub 3} near the pressure-induced charge-density-wave transition

    Energy Technology Data Exchange (ETDEWEB)

    Tauch, Jonas; Obergfell, Manuel [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Schaefer, Hanjo [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Institute of Physics, Ilmenau University of Technology (Germany); Demsar, Jure [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Institute of Physics, Ilmenau University of Technology (Germany); Institute of Physics, Johannes Gutenberg-University Mainz (Germany); Giraldo, Paula; Fisher, Ian R. [Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University (United States); Pashkin, Alexej [Department of Physics and Center for Applied Photonics, University of Konstanz (Germany); Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2015-07-01

    Femtosecond pump-probe spectroscopy is an efficient tool for studying ultrafast dynamics in strongly correlated electronic systems, in particular, compounds with a charge-density-wave (CDW) order. Application of external pressure often leads to a suppression of a CDW state due to an impairment of the Fermi surface nesting. We combine time-resolved optical spectroscopy and diamond anvil cell technology to study electron and lattice dynamics in tri-telluride compound CeTe{sub 3}. Around pressures of 4 GPa we observe a gradual vanishing of the relaxation process related to the recombination of the photoexcited quasiparticles. The coherent oscillations of the phonon modes coupled to the CDW order parameter demonstrate even more dramatic suppression with increasing pressure. These observations clearly indicate a transition into the metallic state of CeTe{sub 3} induced by the external pressure.

  18. Charge-density waves studied at the surface and at the atomic scale in NbSe3

    International Nuclear Information System (INIS)

    Brun, Christophe; Wang, Zhao-Zhong; Monceau, Pierre; Brazovskii, Serguei

    2012-01-01

    We have studied by scanning tunneling microscopy (STM) the two charge-density wave (CDW) transitions in NbSe 3 on in situ cleaved (b,c) plane. We could identify the three types of chains existing inside a single unit cell as well as characterize how both CDWs are distributed on these elementary chains. We also followed between 5 and 140 K the temperature dependence of first-order CDW satellite spots, obtained from the Fourier transform of the STM images, to extract the surface critical temperatures (T s ). Whereas the high-temperature CDW appears to have comparable critical temperature to the bulk one, the low-T CDW transition occurs at T 2s =70–75K, more than 15 K above the bulk T 2b =59K while at exactly the same wave number. A reasonable mechanism for such an unusually high surface enhancement is a softening of transverse phonon modes involved in the CDW formation.

  19. Coherent tunneling between elementary conducting layers in NbSe sub 3 conductor with wave charge density

    CERN Document Server

    Latyshev, Y I; Sinchenko, A A; Bulaevskii, L N; Monceau, P

    2002-01-01

    The peculiarities of the cross-sectional transport in the direction of the crystallographic axis alpha * in the conductor with the NbSe sub 3 wave charge density (WCD) are studied. The strong peak of dynamic conductivity is observed on the WCD of the layered structures and the NbSe sub 3 -NbSe sub 3 point contacts at low temperatures by the zero voltage shift. The identified behavior reminds in many respects the interlayer tunnel conductivity in the Bi-2212-type high-temperature layered conductors. The conductivity peak by the zero shift is explained in the model of the almost coherent interlayer tunneling of the carriers, noncondensed in the WCD

  20. Irreversible mean-field model of the critical behavior of charge-density waves below the threshold for sliding

    Science.gov (United States)

    Sornette, Didier

    1993-05-01

    A mean-field (MF) model of the critical behavior of charge-density waves below the threshold for sliding is proposed, which replaces the combined effect of the pinning force and of the forces exerted by the neighbors on a given particle n by an effective force threshold Xn. It allows one to rationalize the numerical results of Middleton and Fisher [Phys. Rev. Lett. 66 (1991) 92] on the divergence of the polarization and of the largest correlation length and of Pla and Nori [Phys. Rev. Lett. 67 (1991) 919] on the distribution D( d) of sliding bursts of size d, measured in narrow intervals of driving fields E at a finite distance below the threshold Ec.

  1. On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials

    International Nuclear Information System (INIS)

    Castañeda-Priego, R; Lobaskin, V; Mixteco-Sánchez, J C; Rojas-Ochoa, L F; Linse, P

    2012-01-01

    The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions. (paper)

  2. Pressure dependence of the optical properties of the charge-density-wave compound LaTe2

    Energy Technology Data Exchange (ETDEWEB)

    Lavagnini, M.; Sacchetti, A.; Degiorgi, L.; /Zurich, ETH; Arcangeletti, E.; Baldassarre, L.; Postorino, P.; Lupi, S.; /Rome U.; Perucchi, A.; /INFM, Trieste; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2009-12-14

    We report the pressure dependence of the optical response of LaTe{sub 2}, which is deep in the charge-density-wave (CDW) ground state even at 300 K. The reflectivity spectrum is collected in the mid-infrared spectral range at room temperature and at pressures between 0 and 7 GPa. We extract the energy scale due to the single particle excitation across the CDW gap and the Drude weight. We establish that the gap decreases upon compressing the lattice, while the Drude weight increases. This signals a reduction in the quality of nesting upon applying pressure, therefore inducing a lesser impact of the CDW condensate on the electronic properties of LaTe{sub 2}. The consequent suppression of the CDW gap leads to a release of additional charge carriers, manifested by the shift of weight from the gap feature into the metallic component of the optical response. On the contrary, the power-law behavior, seen in the optical conductivity at energies above the gap excitation and indicating a weakly interacting limit within the Tomonaga-Luttinger liquid scenario, seems to be only moderately dependent on pressure.

  3. Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-Tc superconductors

    International Nuclear Information System (INIS)

    Creager, W.N.

    1991-09-01

    The far infrared reflectance and conductivity of (Ta 1-x Nb x Se 4 ) 2 I and TaS 3 have been measured to determine the origin of a huge infrared resonance that dominates the charge density wave (CDW) dynamics along with the pinned acoustic phason mode in the related materials (TaSe 4 ) 2 I and K 0. 3 MoO 3 . The measurements cover frequencies from 3 to 700cm -1 and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta 1-x Nb x Se 4 ) 2 I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS 3 , the pinned acoustic phason near 0.5cm -1 dominates var-epsilon(ω) and an additional small mode lies near 9cm -1 . The latter mode is much smaller than the infrared mode in other CDW materials. These results rule out several models of a ''generic infrared mode'' in CDW excitations. They are compared in detail to the predictions of a recent theory attributing the infrared mode to a bound collective mode localized at impurity sites within the crystal. The transmittance of K 0.3 MoO 3 has been measured at 1.2K with a strong dc electric field applied across the crystal. Under these conditions, the charge density wave depins abruptly and carries large currents with near-zero differential resistance. For some samples, the low-frequency transmittance is enhanced slightly when the CDW depins. The magnitude of the oxygen isotope effect in the high-T c superconductor YBa 2 Cu 3 O 7 has been determined by substitution of 18 O for 16 O. A series of cross-exchanges was performed on high-quality polycrystalline specimens to eliminate uncertainties due to sample heat treatments and sample inhomogeneities

  4. Calculation of the surface potential and surface charge density by measurement of the three-phase contact angle.

    Science.gov (United States)

    Horiuchi, H; Nikolov, A; Wasan, D T

    2012-11-01

    The silica/silicon wafer is widely used in the semiconductor industry in the manufacture of electronic devices, so it is essential to understand its physical chemistry and determine the surface potential at the silica wafer/water interface. However, it is difficult to measure the surface potential of a silica/silicon wafer directly due to its high electric resistance. In the present study, the three-phase contact angle (TPCA) on silica is measured as a function of the pH. The surface potential and surface charge density at the silica/water surface are calculated by a model based on the Young-Lippmann equation in conjunction with the Gouy-Chapman model for the electric double layer. In measurements of the TPCA on silica, two distinct regions were identified with a boundary at pH 9.5-showing a dominance of the surface ionization of silanol groups below pH 9.5 and a dominance of the dissolution of silica into the aqueous solution above pH 9.5. Since the surface chemistry changes above pH 9.5, the model is applied to solutions below pH 9.5 (ionization dominant) for the calculation of the surface potential and surface charge density at the silica/aqueous interface. In order to evaluate the model, a galvanic mica cell was made of a mica sheet and the surface potential was measured directly at the mica/water interface. The model results are also validated by experimental data from the literature, as well as the results obtained by the potentiometric titration method and the electro-kinetic measurements. Copyright © 2012 Elsevier Inc. All rights reserved.

  5. Density-functional investigations on the neutral and charged Cun (n = 2 ∼ 12) clusters

    International Nuclear Information System (INIS)

    Jiang Yuanqi; Duan Haiming

    2011-01-01

    Combined with the semi-empirical inter-atomic potential, the geometrical and electronic properties of the ground- and low-lying states of Cu n (n = 2 ∼ 12) and Cu n ± (n = 2 ∼ 12) clusters are investigated systematically by density-functional calculations. Our results show that: the ground-state geometries prefer to linear or planar structures for the Cu n (n = 2 ∼ 6) and Cu n ± (n = 2 ∼ 5) clusters and the planar structures are all base on triangles, while for the larger clusters, the pentagonal bi-pyramids are the basic units to form the ground-state geometries, and the traditional high-symmetric structures do not dominate to the ground-states for these small copper clusters. The calculated binding energies of Cu n (n = 2 ∼ 12) clusters are in very good agreement with the experimental results, and the obtained ionization potentials (IPs) and electron affinities (EAs) are also in agreement with the observations; Several electronic properties (such as the IPs, EAs and the second-order energy differences) all exhibit oscillations, which can be due to the relatively high stabilities of the copper clusters containing even number electrons. (authors)

  6. Efficient energy transfer and increase of energy density of magnetically charged flywheels

    International Nuclear Information System (INIS)

    Hinterdorfer, T.

    2014-01-01

    Flywheel Energy Storage Systems represent an ecologically and economically sustainable technology for decentralized energy storage. Compared to other storage technologies such as e.g. chemical accumulators, they offer longer life cycles without performance degradation over time and usage and need almost no systematic maintenance. Further, they are made of environmentally friendly materials. By means of the driving torque of an electric motor, the flywheel is accelerated and thus electrical energy is transformed to kinetic energy. The stored energy can be transfered back by the load torque of a generator when needed. Modern flywheel energy storage applications use magnetic bearings to minimize selfdischarge. To avoid bearing forces due to rotor eccentricity an unbalance control strategy is used. However, this leads to an off-centered run of the electric machines rotor which in turn generates undesirable forces. A force-compensating operation of the electric machine will minimize the influence on the magnetic bearings in the planned control scheme, thus increasing their efficiency. Different concepts will be developed and compared to each other by means of simulations. Validation of the simulation models is carried out on a specially constructed test setup under defined conditions. In addition, the electrical machine will be integrated into the concept of redundancy of the flywheel. A bearingless operation increases the reliability and enables a safe shutdown of the application in case of malfunction of the magnetic bearings. High strength composite materials are used to achieve high speeds. Based on existing results from past research activities, a disc-shaped rotor is optimized first. To increase material utilization and to maximize energy density a topology optimization is performed. Evolutionary and gradient based optimization algorithms are used. Thereby the unused strength potential of the material is exploited in order to increase the economic efficiency of

  7. Charged-particle thermonuclear reaction rates: II. Tables and graphs of reaction rates and probability density functions

    International Nuclear Information System (INIS)

    Iliadis, C.; Longland, R.; Champagne, A.E.; Coc, A.; Fitzgerald, R.

    2010-01-01

    Numerical values of charged-particle thermonuclear reaction rates for nuclei in the A=14 to 40 region are tabulated. The results are obtained using a method, based on Monte Carlo techniques, that has been described in the preceding paper of this issue (Paper I). We present a low rate, median rate and high rate which correspond to the 0.16, 0.50 and 0.84 quantiles, respectively, of the cumulative reaction rate distribution. The meaning of these quantities is in general different from the commonly reported, but statistically meaningless expressions, 'lower limit', 'nominal value' and 'upper limit' of the total reaction rate. In addition, we approximate the Monte Carlo probability density function of the total reaction rate by a lognormal distribution and tabulate the lognormal parameters μ and σ at each temperature. We also provide a quantitative measure (Anderson-Darling test statistic) for the reliability of the lognormal approximation. The user can implement the approximate lognormal reaction rate probability density functions directly in a stellar model code for studies of stellar energy generation and nucleosynthesis. For each reaction, the Monte Carlo reaction rate probability density functions, together with their lognormal approximations, are displayed graphically for selected temperatures in order to provide a visual impression. Our new reaction rates are appropriate for bare nuclei in the laboratory. The nuclear physics input used to derive our reaction rates is presented in the subsequent paper of this issue (Paper III). In the fourth paper of this issue (Paper IV) we compare our new reaction rates to previous results.

  8. Evaluation of surface charge density and surface potential by electrophoretic mobility for solid lipid nanoparticles and human brain-microvascular endothelial cells.

    Science.gov (United States)

    Kuo, Yung-Chih; Chen, I-Chun

    2007-09-27

    Electrophoretic mobility, zeta potential, surface charge density, and surface potential of cacao butter-based solid lipid nanoparticles (SLN) and human brain-microvascular endothelial cells (HBMEC) were analyzed in this study. Electrophoretic mobility and zeta potential were determined experimentally. Surface charge density and surface potential were evaluated theoretically via incorporation of ion condensation theory with the relationship between surface charge density and surface potential. The results revealed that the lower the pH value, the weaker the electrostatic properties of the negatively charged SLN and HBMEC. A higher content of cacao butter or a slower stirring rate yielded a larger SLN and stronger surface electricity. On the contrary, storage led to instability of SLN suspension and weaker electrical behavior because of hydrolysis of ionogenic groups on the particle surfaces. Also, high H+ concentration resulted in excess adsorption of H+ onto HBMEC, rendering charge reversal and cell death. The largest normalized discrepancy between surface potential and zeta potential occurred at pH = 7. For a fixed biocolloidal species, the discrepancy was nearly invariant at high pH value. However, the discrepancy followed the order of electrical intensity for HBMEC system at low pH value because mammalian cells were sensitive to H+. The present study provided a practical method to obtain surface charge properties by capillary electrophoresis.

  9. Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.

    Science.gov (United States)

    Gillet, Natacha; Berstis, Laura; Wu, Xiaojing; Gajdos, Fruzsina; Heck, Alexander; de la Lande, Aurélien; Blumberger, Jochen; Elstner, Marcus

    2016-10-11

    In this article, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesized by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated π-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. These four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.

  10. Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-T sub c superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Creager, W.N.

    1991-09-01

    The far infrared reflectance and conductivity of (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I and TaS{sub 3} have been measured to determine the origin of a huge infrared resonance that dominates the charge density wave (CDW) dynamics along with the pinned acoustic phason mode in the related materials (TaSe{sub 4}){sub 2}I and K{sub 0. 3}MoO{sub 3}. The measurements cover frequencies from 3 to 700cm{sup {minus}1} and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS{sub 3}, the pinned acoustic phason near 0.5cm{sup {minus}1} dominates {var epsilon}({omega}) and an additional small mode lies near 9cm{sup {minus}1}. The latter mode is much smaller than the infrared mode in other CDW materials. These results rule out several models of a generic infrared mode'' in CDW excitations. They are compared in detail to the predictions of a recent theory attributing the infrared mode to a bound collective mode localized at impurity sites within the crystal. The transmittance of K{sub 0.3}MoO{sub 3} has been measured at 1.2K with a strong dc electric field applied across the crystal. Under these conditions, the charge density wave depins abruptly and carries large currents with near-zero differential resistance. For some samples, the low-frequency transmittance is enhanced slightly when the CDW depins. The magnitude of the oxygen isotope effect in the high-{Tc} superconductor YBa{sub 2}Cu{sub 3}O{sub 7} has been determined by substitution of {sup 18}O for {sup 16}O. A series of cross-exchanges was performed on high-quality polycrystalline specimens to eliminate uncertainties due to sample heat treatments and sample inhomogeneities.

  11. Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

    Science.gov (United States)

    Peng, Bo; Yu, Yang-Xin

    2009-10-07

    The structural and thermodynamic properties for charge symmetric and asymmetric electrolytes as well as mixed electrolyte system inside a charged cylindrical nanopore are investigated using a partially perturbative density functional theory. The electrolytes are treated in the restricted primitive model and the internal surface of the cylindrical nanopore is considered to have a uniform charge density. The proposed theory is directly applicable to the arbitrary mixed electrolyte solution containing ions with the equal diameter and different valences. Large amount of simulation data for ion density distributions, separation factors, and exclusion coefficients are used to determine the range of validity of the partially perturbative density functional theory for monovalent and multivalent counterion systems. The proposed theory is found to be in good agreement with the simulations for both mono- and multivalent counterion systems. In contrast, the classical Poisson-Boltzmann equation only provides reasonable descriptions of monovalent counterion system at low bulk density, and is qualitatively and quantitatively wrong in the prediction for the multivalent counterion systems due to its neglect of the strong interionic correlations in these systems. The proposed density functional theory has also been applied to an electrolyte absorbed into a pore that is a model of the filter of a physiological calcium channel.

  12. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb–Pb collisions at sNN=5.02 TeV

    Directory of Open Access Journals (Sweden)

    J. Adam

    2017-09-01

    Full Text Available We present the charged-particle pseudorapidity density in Pb–Pb collisions at sNN=5.02 TeV in centrality classes measured by ALICE. The measurement covers a wide pseudorapidity range from −3.5 to 5, which is sufficient for reliable estimates of the total number of charged particles produced in the collisions. For the most central (0–5% collisions we find 21400±1300, while for the most peripheral (80–90% we find 230±38. This corresponds to an increase of (27±4% over the results at sNN=2.76 TeV previously reported by ALICE. The energy dependence of the total number of charged particles produced in heavy-ion collisions is found to obey a modified power-law like behaviour. The charged-particle pseudorapidity density of the most central collisions is compared to model calculations — none of which fully describes the measured distribution. We also present an estimate of the rapidity density of charged particles. The width of that distribution is found to exhibit a remarkable proportionality to the beam rapidity, independent of the collision energy from the top SPS to LHC energies.

  13. Analytical results on the periodically driven damped pendulum. Application to sliding charge-density waves and Josephson junctions

    International Nuclear Information System (INIS)

    Azbel, M.Y.; Bak, P.

    1984-01-01

    The differential equation epsilonphi-dieresis+phi-dot-(1/2)α sin(2phi) = I+summation/sub n/ = -infinity/sup infinity/A/sub n/delta(t-t/sub n/) describing the periodically driven damped pendulum is analyzed in the strong damping limit epsilon<<1, using first-order perturbation theory. The equation may represent the motion of a sliding charge-density wave (CDW) in ac plus dc electric fields, and the resistively shunted Josephson junction driven by dc and microwave currents. When the torque I exceeds a critical value the pendulum rotates with a frequency ω. For infinite damping, or zero mass (epsilon = 0), the equation can be transformed to the Schroedinger equation of the Kronig-Penney model. When A/sub n/ is random the pendulum exhibits chaotic motion. In the regular case A/sub n/ = A the frequency ω is a smooth function of the parameters, so there are no phase-locked subharmonic plateaus in the ω(I) curve, or the I-V characteristics for the CDW or Josephson-junction systems. For small nonzero epsilon the return map expressing the phase phi(t/sub n/+1) as a function of the phase phi(t/sub n/) is a one-dimensional circle map. Applying known analytical results for the circle map one finds narrow subharmonic plateaus at all rational frequencies, in agreement with experiments on CDW systems

  14. The maximal excess charge for a family of density-matrix-functional theories including Hartree-Fock and Müller theories

    Science.gov (United States)

    Kehle, Christoph

    2017-01-01

    We will give a proof that the maximal excess charge for an atom described by a family of density-matrix-functionals, which includes Hartree-Fock and Müller theories, is bounded by a universal constant. We will use the new technique introduced by Frank et al. [preprint arXiv:1608.05625 (2016)].

  15. The microscopic structure of charge density waves in underdoped YBa2Cu3O6.54 revealed by X-ray diffraction

    DEFF Research Database (Denmark)

    Forgan, E.M.; Blackburn, E.; Holmes, A.T.

    2015-01-01

    Charge density wave (CDW) order appears throughout the underdoped high-temperature cuprate superconductors, but the underlying symmetry breaking and the origin of the CDW remain unclear. We use X-ray diffraction to determine the microscopic structure of the CDWs in an archetypical cuprate YBa2Cu3O6...

  16. Study of Interface Charge Densities for ZrO2 and HfO2 Based Metal-Oxide-Semiconductor Devices

    Directory of Open Access Journals (Sweden)

    N. P. Maity

    2014-01-01

    Full Text Available A thickness-dependent interfacial distribution of oxide charges for thin metal oxide semiconductor (MOS structures using high-k materials ZrO2 and HfO2 has been methodically investigated. The interface charge densities are analyzed using capacitance-voltage (C-V method and also conductance (G-V method. It indicates that, by reducing the effective oxide thickness (EOT, the interface charge densities (Dit increases linearly. For the same EOT, Dit has been found for the materials to be of the order of 1012 cm−2 eV−1 and it is originated to be in good agreement with published fabrication results at p-type doping level of 1×1017 cm−3. Numerical calculations and solutions are performed by MATLAB and device simulation is done by ATLAS.

  17. Charge density studies of 3 d metal (Ni/Cu) complexes with a non-innocent ligand

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu (NTU); (UC)

    2017-07-25

    High-resolution X-ray diffraction experiments and atom-specific X-ray absorption experiments are applied to investigate a series of square planar complexes with the non-innocent ligand of maleonitriledithiolate (mnt), [S2C2(CN)2]z-, containingM—S bonds. Four complexes of (PyH)z[M(mnt)2]z-, whereM= Ni or Cu,z= 2 or 1 and PyH+= C5NH6+, were studied in order to clarify whether such one-electron oxidation–reduction, [M(mnt)2]2-/[M(mnt)2]1-, is taking place at the metal or the ligand site. Combining the techniques of metalK-,L-edge and SK-edge X-ray absorption spectroscopy with high-resolution X-ray charge density studies, it is unambiguously demonstrated that the electron redox reaction is ligand based and metal based for Ni and Cu pairs, respectively. The bonding characters in terms of topological properties associated with the bond critical points are compared between the oxidized form [ML]-and the reduced form [ML]2-. In the case of Ni complexes, the formal oxidation state of Ni remains as Ni2+and each mnt ligand carries a 2- charge in [Ni(mnt)2]2-, but only one of the ligands is formally oxidized in [Ni(mnt)2]1-. In contrast, in the case of Cu complexes, the mnt remains as 2- in both complexes, but the formal oxidation states of the metal are Cu2+and Cu3+. Bond characterizations andd-orbital populations will be presented. The complementary results of XAS, XRD and DFT calculations will be discussed. The conclusion on the redox reactions in these

  18. Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical and exper......We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical...... and experimental values along the series support the picture of itinerant 5f electronic states in Th to Pu. The increased deviation between theory and experiment found in Np and Pu may be an indication of correlation effects not included in the local density approximation....

  19. Ab initio LCAO-MO cluster-type calculation of the self-consistent electronic screening charge density around a single hydrogen impurity in a nickel crystal

    International Nuclear Information System (INIS)

    Simpson, R.W.; Lane, N.F.; Chaney, R.C.

    1978-01-01

    The electronic structure for a Ni atom cluster embedded in bulk Ni by use of a spin-averaged local exchange SCF Ni crystal potential is calculated with an ab initio LCAO-Mo variational method. A single hydrogen impurity is added at the cluster center (fcc octahedral interstitial site) and the electronic structure computed iteratively until the change in electron density from the pure Ni cluster density is self-consistent. The H-Ni 6 self-consistent density change is compared to the charge density around a free hydrogen atom and to the initial-response density change in H-Ni 14 and H-Ni 38 clusters. 14 references

  20. Influence of charge density and ionic strength on the aggregation process of cellulose nanocrystals in aqueous suspension, as revealed by small-angle neutron scattering.

    Science.gov (United States)

    Cherhal, Fanch; Cousin, Fabrice; Capron, Isabelle

    2015-05-26

    Aggregation of rodlike colloidal particles is investigated here through the aggregation process by either increasing ionic strength or decreasing surface charge density of cellulose nanocrystals (CNCs). The form factor of the nanoparticles is characterized up to the Guinier plateau using small-angle neutron scattering (SANS) extended to very small scattering vector Q. Ionic strength, above the threshold of screening charges, brings aggregative conditions that induced fractal organizations for both charged and uncharged CNCs. These two structures display respective fractal dimensions of 2.1 for charged CNCs at high ionic strength and 2.3 for desulfated CNCs over more than a decade of the scattering vector Q, irrespective of salinity, revealing a denser structuration for neutral particles. This is discussed in the framework of aggregation of rodlike particles with an aspect ratio higher than 8. Furthermore, dilution of the rod gel led to disentanglement of the network of fractal aggregates with a subsequent macroscopic sedimentation of the suspensions, with a characteristic time that depends upon the ionic strength and surface charge density. It revealed a threshold independent of salt content around 2.5 g/L and the metastable out-of-equilibrium character of CNC suspensions.

  1. The adsorption of CO on charged and neutral Au and Au2: A comparison between wave-function based and density functional theory

    Science.gov (United States)

    Schwerdtfeger, Peter; Lein, Matthias; Krawczyk, Robert P.; Jacob, Christoph R.

    2008-03-01

    Quantum theoretical calculations are presented for CO attached to charged and neutral Au and Au2 with the aim to test the performance of currently applied density functional theory (DFT) by comparison with accurate wave-function based results. For this, we developed a compact sized correlation-consistent valence basis set which accompanies a small-core energy-consistent scalar relativistic pseudopotential for gold. The properties analyzed are geometries, dissociation energies, vibrational frequencies, ionization potentials, and electron affinities. The important role of the basis-set superposition error is addressed which can be substantial for the negatively charged systems. The dissociation energies decrease along the series Au+-CO, Au-CO, and Au--CO and as well as along the series Au2+-CO, Au2-CO, and Au2--CO. As one expects, a negative charge on gold weakens the carbon oxygen bond considerably, with a consequent redshift in the CO stretching frequency when moving from the positively charged to the neutral and the negatively charged gold atom or dimer. We find that the different density functional approximations applied are not able to correctly describe the rather weak interaction between CO and gold, thus questioning the application of DFT to CO adsorption on larger gold clusters or surfaces.

  2. The effect of fixed charge density and cartilage swelling on mechanics of knee joint cartilage during simulated gait.

    Science.gov (United States)

    Räsänen, Lasse P; Tanska, Petri; Zbýň, Štefan; van Donkelaar, Corrinus C; Trattnig, Siegfried; Nieminen, Miika T; Korhonen, Rami K

    2017-08-16

    The effect of swelling of articular cartilage, caused by the fixed charge density (FCD) of proteoglycans, has not been demonstrated on knee joint mechanics during simulated walking before. In this study, the influence of the depth-wise variation of FCD was investigated on the internal collagen fibril strains and the mechanical response of the knee joint cartilage during gait using finite element (FE) analysis. The FCD distribution of tibial cartilage was implemented from sodium ( 23 Na) MRI into a 3-D FE-model of the knee joint ("Healthy model"). For comparison, models with decreased FCD values were created according to the decrease in FCD associated with the progression of osteoarthritis (OA) ("Early OA" and "Advanced OA" models). In addition, a model without FCD was created ("No FCD" model). The effect of FCD was studied with five different collagen fibril network moduli of cartilage. Using the reference fibril network moduli, the decrease in FCD from "Healthy model" to "Early OA" and "Advanced OA" models resulted in increased axial strains (by +2 and +6%) and decreased fibril strains (by -3 and -13%) throughout the stance, respectively, calculated as mean values through cartilage depth in the tibiofemoral contact regions. Correspondingly, compared to the "Healthy model", the removal of the FCD altogether in "NoFCD model" resulted in increased mean axial strains by +16% and decreased mean fibril strains by -24%. This effect was amplified as the fibril network moduli were decreased by 80% from the reference. Then mean axial strains increased by +6, +19 and +49% and mean fibril strains decreased by -9, -20 and -32%, respectively. Our results suggest that the FCD in articular cartilage has influence on cartilage responses in the knee during walking. Furthermore, the FCD is suggested to have larger impact on cartilage function as the collagen network degenerates e.g. in OA. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Alahmed, Z.A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Auluck, S. [CSIR-National Physical Laboratory, Dr. K S Krishnan Marg, New Delhi 110012 (India); Chyský, Jan [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

    2014-06-01

    A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] Pyrimidine-8-Carboxylic Acid Ethyl Ester (C{sub 15}H{sub 12}N{sub 4}O{sub 2}S{sub 2}) is performed. The density of states at Fermi level equal to 5.50 (3.45) states/Ry cell, and the calculated bare electronic specific heat coefficient is found to be 0.95 (0.59) mJ/mole-K{sup 2} for the local density approximation (Engel–Vosko generalized gradient approximation). The electronic charge density space distribution contours in (1 0 0) and (1 1 0) planes were calculated. We find that there are two independent molecules (A and B) in the asymmetric unit exhibit intramolecular C–H…O, C–H…N interactions. This intramolecular interaction is different in molecules A and B, where A molecule show C–H…O interaction while B molecule exhibit C–H…N interaction. We should emphasis that there is π–π interaction between the pyrimidine rings of the two neighbors B molecules gives extra strengths and stabilizations to the superamolecular structure. The calculated distance between the two neighbors pyrimidine rings found to be 3.345 Å, in good agreement with the measured one (3.424(1) Å). - Highlights: • Electronic structure, chemical bonding, and electron charge density were studied. • Density of states at Fermi level is 5.50 (3.45) states/Ry cell, for LDA (EVGGA). • Bare electronic specific heat coefficient is 0.95 (0.59) mJ/mole-K{sup 2} for LDA(EVGGA). • There are two independent molecules (A and B) in the asymmetric unit.

  4. Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z = 21 to 30

    Science.gov (United States)

    Yu, Wei-Wei; Wang, Zhi-Wen; Chen, Chao; Cai, Juan; Zhang, Nan

    2012-07-01

    By using the full-core plus correlation (FCPC) type wave functions, the accurate charge densities ρ(0) at the nucleus and the radial expectation values of the ground states for the lithium-like systems with Z = 21 to 30 are obtained. The determinantal conditions and the electron-nucleus cusp condition are used to calculate the inequalities of the upper and the lower bounds to ρ(0) with two or more expectation values. These inequalities, derived by Angulo and Dehesa [Phys. Rev. A 44 1516 (1991)], are verified to be also valid for these ions with higher nuclear charge. The present results show that the wave functions used in this paper are satisfactory in the whole configuration space for these ions with higher nuclear charge.

  5. Impact of electron delocalization on the nature of the charge-transfer states in model pentacene/C60 Interfaces: A density functional theory study

    KAUST Repository

    Yang, Bing

    2014-12-04

    Electronic delocalization effects have been proposed to play a key role in photocurrent generation in organic photovoltaic devices. Here, we study the role of charge delocalization on the nature of the charge-transfer (CT) states in the case of model complexes consisting of several pentacene molecules and one fullerene (C60) molecule, which are representative of donor/acceptor heterojunctions. The energies of the CT states are examined by means of time-dependent density functional theory (TD-DFT) using the long-range-corrected functional, ωB97X, with an optimized range-separation parameter, ω. We provide a general description of how the nature of the CT states is impacted by molecular packing (i.e., interfacial donor/acceptor orientations), system size, and intermolecular interactions, features of importance in the understanding of the charge-separation mechanism.

  6. Charged-particle multiplicity density at midrapidity in central Pb-Pb collisions at sqrt[S(NN)] = 2.76 TeV.

    Science.gov (United States)

    Aamodt, K; Abelev, B; Quintana, A Abrahantes; Adamová, D; Adare, A M; Aggarwal, M M; Rinella, G Aglieri; Agocs, A G; Salazar, S Aguilar; Ahammed, Z; Masoodi, A Ahmad; Ahmad, N; Ahn, S U; Akindinov, A; Aleksandrov, D; Alessandro, B; Molina, R Alfaro; Alici, A; Alkin, A; Aviña, E Almaráz; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anson, C; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Ferroli, R Baldini; Baldisseri, A; Baldit, A; Pedrosa, F Baltasar Dos Santos; Bán, J; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Beole, S; Berceanu, I; 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Chojnacki, M; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Coccetti, F; Coffin, J-P; Coli, S; Balbastre, G Conesa; Del Valle, Z Conesa; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Morales, Y Corrales; Maldonado, I Cortés; Cortese, P; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; Erasmo, G D; Dainese, A; Dalsgaard, H H; Danu, A; Das, D; Das, I; Das, K; Dash, A; Dash, S; De, S; Moregula, A De Azevedo; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Remigis, R; de Rooij, R; Debski, P R; Sanchez, E Del Castillo; Delagrange, H; Mercado, Y Delgado; Dellacasa, G; Deloff, A; Demanov, V; Dénes, E; Deppman, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dietel, T; Divià, R; Djuvsland, Ø; Dobrin, A; Dobrowolski, T; Domínguez, I; Dönigus, B; Dordic, O; Driga, O; Dubey, A K; Dubuisson, J; Ducroux, L; Dupieux, P; Majumdar, A K Dutta; Majumdar, M R Dutta; Elia, D; Emschermann, D; Engel, H; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Feofilov, G; Téllez, A Fernández; Ferretti, A; Ferretti, R; Figiel, J; Figueredo, M A S; Filchagin, S; Fini, R; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Fuchs, U; Furano, F; Furget, C; Girard, M Fusco; Gaardhøje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Ganti, M S; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gemme, R; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Gomez, R; Ferreiro, E G; Santos, H González; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Gotovac, S; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Gutierrez, C Guerra; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Gutbrod, H; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Harris, J W; Hartig, M; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernández, C; Corral, G Herrera; Herrmann, N; Hetland, K F; Hicks, B; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hřivnáčová, I; Huang, M; Huber, S; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Jachołkowski, A; Jacobs, P M; Jancurová, L; Jangal, S; Janik, R; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanović, P; Jung, H; Jung, W; 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Lafage, V; Lara, C; Lardeux, A; Larsen, D T; Lazzeroni, C; Le Bornec, Y; Lea, R; Lee, K S; Lee, S C; Lefèvre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; Monzón, I León; Vargas, H León; Lévai, P; Li, X; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Liu, L; Loenne, P I; Loggins, V R; Loginov, V; Lohn, S; Loizides, C; Loo, K K; Lopez, X; Noriega, M López; Torres, E López; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luparello, G; Luquin, L; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Mal'Kevich, D; Malaev, M; Cervantes, I Maldonado; Malinina, L; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Markert, C; Martashvili, I; Martinengo, P; Martínez, M I; Davalos, A Martínez; García, G Martínez; Martynov, Y; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Matyja, A; 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Shahoyan, R; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simonetti, G; Singaraju, R; Singh, R; Singhal, V; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Søgaard, C; Soloviev, A; Soltz, R; Son, H; Song, J; Song, M; Soos, C; Soramel, F; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Steinpreis, M; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stokkevag, C H; Stolpovskiy, M; Strmen, P; Suaide, A A P; Vásquez, M A Subieta; Sugitate, T; Suire, C; Sukhorukov, M; Sumbera, M; Susa, T; Swoboda, D; Symons, T J M; de Toledo, A Szanto; Szarka, I; Szostak, A; Tagridis, C; Takahashi, J; Takaki, J D Tapia; Tauro, A; Tavlet, M; Muñoz, G Tejeda; Telesca, A; Terrevoli, C; Thäder, J; Thomas, D; Thomas, J H; Tieulent, R; Timmins, A R; Tlusty, D; Toia, A; Torii, H; Toscano, L; Tosello, F; Traczyk, T; Truesdale, D; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A J; Tveter, T S; Ulery, J; Ullaland, K; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vajzer, M; Vala, M; Palomo, L Valencia; Vallero, S; van der Kolk, N; van Leeuwen, M; Vande Vyvre, P; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernekohl, D C; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Baillie, O Villalobos; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Øvrebekk, G; Vrláková, J; Vulpescu, B; Vyushin, A; Wagner, B; Wagner, V; Wan, R; Wang, D; Wang, Y; Wang, Y; Watanabe, K; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, A; Wilk, G; Williams, M C S; Windelband, B; Karampatsos, L Xaplanteris; Yang, H; Yang, S; Yasnopolskiy, S; Yi, J; Yin, Z; Yokoyama, H; Yoo, I-K; Yu, W; Yuan, X; Yushmanov, I; Zabrodin, E; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zichichi, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M

    2010-12-17

    The first measurement of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at a center-of-mass energy per nucleon pair √ S NN = 2.76 TeV is presented. For an event sample corresponding to the most central 5% of the hadronic cross section, the pseudorapidity density of primary charged particles at midrapidity is 1584 ± 4(stat) ± 76(syst), which corresponds to 8.3 ± 0.4(syst) per participating nucleon pair. This represents an increase of about a factor 1.9 relative to pp collisions at similar collision energies, and about a factor 2.2 to central Au-Au collisions at √ S NN = 2.76 TeV. This measurement provides the first experimental constraint for models of nucleus-nucleus collisions at LHC energies.

  7. Charged-particle multiplicity density at mid-rapidity in central Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Aamodt, K; Abrahantes Quintana, A; Adamova, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agocs, A G; Aguilar Salazar, S; Ahammed, Z; Ahmad Masoodi, A; Ahmad, N; Ahn, S U; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Alkin, A; Almaraz Avina, E; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anson, C; Anticic, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshauser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aysto, J; Azmi, M D; Bach, M; Badala, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Baldini-Ferroli, R; Baldisseri, A; Baldit, A; Baltasar Dos Santos Pedrosa, F; Ban, J; Barbera, R; Barile, F; Barnafoldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Beole, S; Berceanu, I; Bercuci, A; Berdermann, E; Berdnikov, Y; Bergmann, C; Betev, L; Bhasin, A; Bhati, A K; Bianchi, L; Bianchi, N; Bianchin, C; Bielcik, J; Bielcikova, J; Bilandzic, A; Biolcati, E; Blanc, A; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Bock, N; Bogdanov, A; Boggild, H; Bogolyubsky, M; Boldizsar, L; Bombara, M; Bombonati, C; Book, J; Borel, H; Borissov, A; Bortolin, C; Bose, S; Bossu, F; Botje, M; Bottger, S; Boyer, B; Braun-Munzinger, P; Bravina, L; Bregant, M; Breitner, T; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bugaiev, K; Busch, O; Buthelezi, Z; Caffarri, D; Cai, X; Caines, H; Calvo Villar, E; Camerini, P; Canoa Roman, V; Cara Romeo, G; Carena, F; Carena, W; Carminati, F; Casanova Diaz, A; Caselle, M; Castillo Castellanos, J; Catanescu, V; Cavicchioli, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Cherney, M; Cheshkov, C; Cheynis, B; Chiavassa, E; Chibante Barroso, V; Chinellato, D D; Chochula, P; Chojnacki, M; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Coccetti, F; Coffin, J P; Coli, S; Conesa Balbastre, G; Conesa del Valle, Z; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortes Maldonado, I; Cortese, P; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; D'Erasmo, G; Dainese, A; Dalsgaard, H H; Danu, A; Das, D; Das, I; Das, K; Dash, A; Dash, S; De, S; De Azevedo Moregula, A; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Remigis, R; de Rooij, R; Debski, P R; Del Castillo Sanchez, E; Delagrange, H; Delgado Mercado, Y; Dellacasa, G; Deloff, A; Demanov, V; Denes, E; Deppman, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dietel, T; Divia, R; Djuvsland, O; Dobrin, A; Dobrowolski, T; Dominguez, I; Donigus, B; Dordic, O; Driga, O; Dubey, A K; Dubuisson, J; Ducroux, L; Dupieux, P; Dutta Majumdar, A K; Dutta Majumdar, M R; Elia, D; Emschermann, D; Engel, H; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Feofilov, G; Fernandez Tellez, A; Ferretti, A; Ferretti, R; Figiel, J; Figueredo, M A S; Filchagin, S; Fini, R; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Fuchs, U; Furano, F; Furget, C; Fusco Girard, M; Gaardhoje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Ganti, M S; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gemme, R; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glassel, P; Gomez, R; Ferreiro, E G; Gonzalez Santos, H; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Gotovac, S; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J Y; Grosso, R; Guber, F; Guernane, R; Guerra Gutierrez, C; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Gutbrod, H; Haaland, O; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Harris, J W; Hartig, M; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernandez, C; Herrera Corral, G; Herrmann, N; Hetland, K F; Hicks, B; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hrivnacova, I; Huang, M; Huber, S; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Jacholkowski, A; Jacobs, P M; Jancurova, L; Jangal, S; Janik, R; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanovic, P; Jung, H; Jung, W; Jusko, A; Kalcher, S; Kalinak, P; Kalisky, M; Kalliokoski, T; Kalweit, A; Kamermans, R; Kanaki, K; Kang, E; Kang, J H; Kaplin, V; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D J; Kim, D S; Kim, D W; Kim, H N; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, S H; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bosing, C; Kliemant, M; Klovning, A; Kluge, A; Knichel, M L; Koch, K; Kohler, M; Kolevatov, R; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskih, A; Kornas, E; Kottachchi Kankanamge Don, C; Kour, R; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kozlov, K; Kral, J; Kralik, I; Kramer, F; Kraus, I; Krawutschke, T; Kretz, M; Krivda, M; Krizek, F; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, S; Kushpil, V; Kweon, M J; Kwon, Y; La Rocca, P; Ladron de Guevara, P; Lafage, V; Lara, C; Lardeux, A; Larsen, D T; Lazzeroni, C; Le Bornec, Y; Lea, R; Lee, K S; Lee, S C; Lefevre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; Leon Monzon, I; Leon Vargas, H; Levai, P; Li, X; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Liu, L; Loenne, P I; Loggins, V R; Loginov, V; Lohn, S; Loizides, C; Loo, K K; Lopez, X; Lopez Noriega, M; Lopez Torres, E; Lovhoiden, G; Lu, X G; Luettig, P; Lunardon, M; Luparello, G; Luquin, L; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Mal'Kevich, D; Malaev, M; Maldonado Cervantes, I; Malinina, L; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mares, J; Margagliotti, G V; Margotti, A; Marin, A; Markert, C; Martashvili, I; Martinengo, P; Martinez, M I; Martinez Davalos, A; Martinez Garcia, G; Martynov, Y; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Matyja, A; Mayani, D; Mayer, C; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mendez Lorenzo, P; Menis, I; Mercado Perez, J; Meres, M; Mereu, P; Miake, Y; Midori, J; Milano, L; Milosevic, J; Mischke, A; Miskowiec, D; Mitu, C; Mlynarz, J; Mohanty, A K; Mohanty, B; Molnar, L; Montano Zetina, L; Monteno, M; Montes, E; Morando, M; Moreira De Godoy, D A; Moretto, S; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Muller, H; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nicassio, M; Nielsen, B S; Niida, T; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Obayashi, H; Ochirov, A; Oeschler, H; Oh, S K; Oleniacz, J; Oppedisano, C; Ortiz Velasquez, A; Ortona, G; Oskarsson, A; Ostrowski, P; Otterlund, I; Otwinowski, J; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Jayarathna, S P; Paic, G; Painke, F; Pajares, C; Pal, S; Pal, S K; Palaha, A; Palmeri, A; Pappalardo, G S; Park, W J; Patalakha, D I; Paticchio, V; Pavlinov, A; Pawlak, T; Peitzmann, T; Peresunko, D; Perez Lara, C E; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petracek, V; Petran, M; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piuz, F; Piyarathna, D B; Platt, R; Ploskon, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polak, K; Polichtchouk, B; Pop, A; Porteboeuf, S; Pospisil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pulvirenti, A; Punin, V; Putis, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Rademakers, O; Radomski, S; Raiha, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramirez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Rasanen, S S; Read, K F; Real, J; Redlich, K; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J P; Reygers, K; Ricaud, H; Riccati, L; Ricci, R A; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rodriguez Cahuantzi, M; Rohr, D; Rohrich, D; Romita, R; Ronchetti, F; Rosinsky, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Rivetti, A; Rusanov, I; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safarik, K; Sahoo, R; Sahu, P K; Saini, J; Saiz, P; Sakai, S; Sakata, D; Salgado, C A; Samanta, T; Sambyal, S; Samsonov, V; Sanchez Castro, X; Sandor, L; Sandoval, A; Sano, M; Sano, S; Santo, R; Santoro, R; Sarkamo, J; Saturnini, P; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, P A; Scott, R; Segato, G; Selyuzhenkov, I; Senyukov, S; Seo, J; Serci, S; Serradilla, E; Sevcenco, A; Sgura, I; Shabratova, G; Shahoyan, R; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simonetti, G; Singaraju, R; Singh, R; Singhal, V; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Sogaard, C; Soloviev, A; Soltz, R; Son, H; Song, J; Song, M; Soos, C; Soramel, F; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Steinpreis, M; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stokkevag, C H; Stolpovskiy, M; Strmen, P; Suaide, A A P; Subieta Vasquez, M A; Sugitate, T; Suire, C; Sukhorukov, M; Sumbera, M; Susa, T; Swoboda, D; Symons, T J M; Szanto de Toledo, A; Szarka, I; Szostak, A; Tagridis, C; Takahashi, J; Tapia Takaki, J D; Tauro, A; Tavlet, M; Tejeda Munoz, G; Telesca, A; Terrevoli, C; Thader, J; Thomas, D; Thomas, J H; Tieulent, R; Timmins, A R; Tlusty, D; Toia, A; Torii, H; Toscano, L; Tosello, F; Traczyk, T; Truesdale, D; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A J; Tveter, T S; Ulery, J; Ullaland, K; Uras, A; Urban, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vajzer, M; Vala, M; Valencia Palomo, L; Vallero, S; van der Kolk, N; van Leeuwen, M; Vande Vyvre, P; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernekohl, D C; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Ovrebekk, G; Vrlakova, J; Vulpescu, B; Vyushin, A; Wagner, B; Wagner, V; Wan, R; Wang, D; Wang, Y; Wang, Y; Watanabe, K; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, A; Wilk, G; Williams, M C S; Windelband, B; Xaplanteris Karampatsos, L; Yang, H; Yang, S; Yasnopolskiy, S; Yi, J; Yin, Z; Yokoyama, H; Yoo, I K; Yu, W; Yuan, X; Yushmanov, I; Zabrodin, E; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Zavada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zichichi, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M

    2010-01-01

    The first measurement of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at a centre-of-mass energy per nucleon pair sqrt(sNN) = 2.76 TeV is presented. For an event sample corresponding to the most central 5% of the hadronic cross section the pseudo-rapidity density of primary charged particles at mid-rapidity is 1584 +- 4 (stat) +- 76 (sys.), which corresponds to 8.3 +- 0.4 (sys.) per participating nucleon pair. This represents an increase of about a factor 1.9 relative to pp collisions at similar collision energies, and about a factor 2.2 to central Au-Au collisions at sqrt(sNN) = 0.2 TeV. This measurement provides the first experimental constraint for models of nucleus-nucleus collisions at LHC energies.

  8. Application of the Mössbauer Spectroscopy to Study Harmonically Modulated Electronic Structures: Case Study of Charge- and Spin-Density Waves in Cr and Its Alloys

    Directory of Open Access Journals (Sweden)

    Stanislaw Mieczyslaw Dubiel

    2015-12-01

    Full Text Available Relevance of the Mössbauer spectroscopy in the study of harmonically modulated electronic structures i.e. spin-density waves (SDWs and charge-density waves (CDWs is presented and discussed. First, the effect of various parameters pertinent to the SDWs and CDWs is outlined on simulated 119Sn spectra and distributions of the hyperfine field and the isomer shift. Next, various examples of the 119Sn spectra measured on single-crystals and polycrystalline samples of Cr and Cr-V are reviewed.

  9. Experimental Charge Density in an Oxidized Trinuclear Iron Complex using 15 K Synchrotron and 100 K Conventional Single-Crystal X-ray Diffraction

    International Nuclear Information System (INIS)

    Overgaard, J.; Larsen, F.; Timco, G.; Iversen, B.

    2009-01-01

    The experimental electron density distribution in a crystal consisting of the simplest conceivable trinuclear carboxylate-bridged iron-μ3-oxo dianion with two α-picolinium cations has been determined using both synchrotron (15 K) and conventional (100 K) X-ray diffraction data. The constituent trinuclear oxo-centered molecule consists of six 2-bridging formate groups between the iron pairs, while the axial ligand for all iron atoms is another formate group. The compound {(Fe3O(HCOO)6(HCOO)3)2-·H2O·2(α-CH3NC5H5)+}, ( 1) crystallizes in the monoclinic space group P21/m with charge assisted hydrogen bonds linking the α-picolinium cations to the trinuclear groups. The chemical bonding in the weakly asymmetric Fe3O-core of 1 has been examined through the use of the quantum theory of atoms in molecules, and in combination with experimental d-orbital populations, a significant electron sharing is observed between the Fe atoms and the central oxygen. The central oxygen exhibits clear sp2 hybridization, and the iron atoms have valence shell charge concentrations in all metal-ligand bond directions. The relative bond strengths are evaluated based upon the charge density distribution and found to be in accordance with the geometrical results. Integrated group charges follow expectations from formal chemical valences.

  10. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at sNN=5.02TeV

    NARCIS (Netherlands)

    Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaraz, J. R. M.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Balasubramanian, S.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.|info:eu-repo/dai/nl/411263188; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-moreno, E.; Belyaev, V.; Benacek, P.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.|info:eu-repo/dai/nl/371578248; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Bjelogrlic, S.|info:eu-repo/dai/nl/355079615; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Bourjau, C.; Braun-munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.|info:eu-repo/dai/nl/411885812; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Choi, K.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, I.; Das, S.; Dash, A.; Dash, S.; De, S.; De Caro, A.; De Cataldo, G.; De Conti, C.; De Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; Deplano, C.; Dhankher, P.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.|info:eu-repo/dai/nl/372618715; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.|info:eu-repo/dai/nl/355502488; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-solis, E.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Germain, M.; Gheata, A.; Gheata, M.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, V.; González-zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Grachov, O. A.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.|info:eu-repo/dai/nl/326052577; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosse-oetringhaus, J. F.; Grossiord, J.-y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Horak, D.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Incani, E.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacazio, N.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jahnke, C.; Jakubowska, M. J.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.|info:eu-repo/dai/nl/370530780; Keil, M.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.; Kim, J. S.; Kim, M.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein-bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kostarakis, P.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Kubera, A. M.; Kučera, V.; Kuijer, P. G.|info:eu-repo/dai/nl/074064975; Kumar, J.; Kumar, L.; Kumar, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Ladron De Guevara, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Lehas, F.|info:eu-repo/dai/nl/411295721; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; León Vargas, H.; Leoncino, M.; Lévai, P.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal’kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.|info:eu-repo/dai/nl/412461684; Marín, A.; Markert, C.; Marquard, M.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Mcdonald, D.; Meddi, F.; Melikyan, Y.; Menchaca-rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.|info:eu-repo/dai/nl/325781435; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.|info:eu-repo/dai/nl/369405870; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Moreira De Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Naik, B.; Nair, R.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal Da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.|info:eu-repo/dai/nl/07051349X; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.|info:eu-repo/dai/nl/323375618; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pal, S. K.; Pan, J.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.|info:eu-repo/dai/nl/304833959; Pereira Da Costa, H.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poonsawat, W.; Pop, A.; Porteboeuf-houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Redlich, K.; Reed, R. J.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Revol, J.-p.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.|info:eu-repo/dai/nl/413319628; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Šándor, L.; Sandoval, A.; Sano, M.; Sarkar, D.; Sarma, P.; Scapparone, E.; Scarlassara, F.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, M.; Sharma, M.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.|info:eu-repo/dai/nl/165585781; Snellman, T. W.; Søgaard, C.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; De Souza, R. D.; Sozzi, F.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-stassinaki, M.; Stachel, J.; Stan, I.; Stankus, P.; Stefanek, G.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Szabo, A.; Szanto De Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tangaro, M. A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trombetta, G.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Van Der Maarel, J.|info:eu-repo/dai/nl/412860996; Van Hoorne, J. W.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.|info:eu-repo/dai/nl/413533751; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.|info:eu-repo/dai/nl/330542133; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; Von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Wagner, B.; Wagner, J.; Wang, H.|info:eu-repo/dai/nl/369509307; Wang, M.; Watanabe, D.; Watanabe, Y.; Weiser, D. F.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yano, S.; Yasar, C.; Yokoyama, H.; Yoo, I.-k.; Yoon, J. H.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, C.; Zhao, C.; Zhigareva, N.; Zhou, Z.; Zhu, H.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.

    2016-01-01

    The pseudorapidity density of charged particles, dN ch /dη , at midrapidity in Pb-Pb collisions has been measured at a center-of-mass energy per nucleon pair of s NN − − − − √ =5.02  TeV . For the 5% most central collisions, we measure a value of 1943±54 . The rise in dN ch /dη as a function of s NN

  11. Extraction of sub-gap density of states via capacitance–voltage measurement for the erasing process in a TFT charge-trapping memory

    OpenAIRE

    Yen-Chang Chiang; Yang-Hsuan Hsiao; Jeng-Ting Li; Jen-Sue Chen

    2018-01-01

    Charge-trapping memories (CTMs) based on zinc tin oxide (ZTO) semiconductor thin-film transistors (TFTs) can be programmed by a positive gate voltage and erased by a negative gate voltage in conjunction with light illumination. To understand the mechanism involved, the sub-gap density of states associated with ionized oxygen vacancies in the ZTO active layer is extracted from optical response capacitance–voltage (C–V) measurements. The corresponding energy states of ionized oxygen vacancies a...

  12. Magnetic properties of the charge density wave compounds RTe3, R=Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er & Tm

    Energy Technology Data Exchange (ETDEWEB)

    Ru, N.; Chu, J.-H.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2009-12-14

    The antiferromagnetic transition is investigated in the rare-earth (R) tritelluride RTe{sub 3} family of charge density wave (CDW) compounds via specific heat, magnetization and resistivity measurements. Observation of the opening of a superzone gap in the resistivity of DyTe{sub 3} indicates that additional nesting of the reconstructed Fermi surface in the CDW state plays an important role in determining the magnetic structure.

  13. Injection-modulated polarity conversion by charge carrier density control via a self-assembled monolayer for all-solution-processed organic field-effect transistors

    Science.gov (United States)

    Roh, Jeongkyun; Lee, Taesoo; Kang, Chan-Mo; Kwak, Jeonghun; Lang, Philippe; Horowitz, Gilles; Kim, Hyeok; Lee, Changhee

    2017-04-01

    We demonstrated modulation of charge carrier densities in all-solution-processed organic field-effect transistors (OFETs) by modifying the injection properties with self-assembled monolayers (SAMs). The all-solution-processed OFETs based on an n-type polymer with inkjet-printed Ag electrodes were fabricated as a test platform, and the injection properties were modified by the SAMs. Two types of SAMs with different dipole direction, thiophenol (TP) and pentafluorobenzene thiol (PFBT) were employed, modifying the work function of the inkjet-printed Ag (4.9 eV) to 4.66 eV and 5.24 eV with TP and PFBT treatments, respectively. The charge carrier densities were controlled by the SAM treatment in both dominant and non-dominant carrier-channel regimes. This work demonstrates that control of the charge carrier densities can be efficiently achieved by modifying the injection property with SAM treatment; thus, this approach can achieve polarity conversion of the OFETs.

  14. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS2

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Stephen M. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Electrical and Computer Engineering, University of Rochester, Rochester, New York 14627, USA; Luican-Mayer, Adina [Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Physics, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada; Bhattacharya, Anand [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

    2017-11-27

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.

  15. Charge density waves in nanocrystalline thin films of blue bronze K{sub 0.3}MoO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Staresinic, D., E-mail: damirs@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Dominko, D., E-mail: ddominko@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Salamon, K., E-mail: ksalamon@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Biljakovic, K., E-mail: katica@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Tomeljak, A., E-mail: atomeljak@gmail.com [J. Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Schaefer, H., E-mail: hanjo.schaefer@uni-konstanz.de [Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Huber, T., E-mail: tim.huber@uni-konstanz.de [Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Demsar, J., E-mail: jure.demsar@uni-konstanz.de [J. Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Socol, G., E-mail: gabriel.socol@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Ristoscu, C., E-mail: carmen.ristoscu@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Mihailescu, I.N., E-mail: ion.mihailescu@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Siketic, Z., E-mail: zsiketic@irb.hr [Ruder Boskovic Institute, Bijenicka 54, Zagreb (Croatia)

    2012-06-01

    Thin granular films of charge density wave (CDW) system K{sub 0.3}MoO{sub 3} were prepared by pulsed laser deposition and investigated by various standard characterization methods such as GI-XRD, electric transport, TOF-ERDA, AFM and UV-visible spectroscopy. While all these methods indicate that the thin films consist of nanometer grains of K{sub 0.3}MoO{sub 3}, it is only the non-destructive femtosecond time-resolved spectroscopy (fsTRS) that demonstrates the charge density wave nature of the ground state and therefore proves directly the presence of K{sub 0.3}MoO{sub 3}. Furthermore, the comparison of the fsTRS data obtained in thin films and in single crystals shows the reduction of the charge density wave transition temperature and of the photoinduced signal strength in granular thin films with respect to single crystals, which is attributed to the granularity and crystal growth morphology. Our results establish fsTRS technique as the essential tool for the detection and characterization of complex ground states in nano-sized systems.

  16. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Abbas, Ehab; Adam, Jaroslav; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agocs, Andras Gabor; Agostinelli, Andrea; Ahammed, Zubayer; Ahmad, Arshad; Ahmad, Nazeer; Ahn, Sang Un; Ahn, Sul-Ah; Aimo, Ilaria; Ajaz, Muhammad; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alici, Andrea; Alkin, Anton; Almaraz Avina, Erick Jonathan; Alme, Johan; Alt, Torsten; Altini, Valerio; Altinpinar, Sedat; Altsybeev, Igor; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anielski, Jonas; Anson, Christopher Daniel; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshauser, Harald; Arbor, Nicolas; Arcelli, Silvia; Arend, Andreas; Armesto, Nestor; Arnaldi, Roberta; Aronsson, Tomas Robert; Arsene, Ionut Cristian; Arslandok, Mesut; Asryan, Andzhey; Augustinus, Andre; Averbeck, Ralf Peter; Awes, Terry; Aysto, Juha Heikki; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bailhache, Raphaelle Marie; Bala, Renu; Baldisseri, Alberto; Baltasar Dos Santos Pedrosa, Fernando; Ban, Jaroslav; Baral, Rama Chandra; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Barret, Valerie; Bartke, Jerzy Gustaw; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batyunya, Boris; Batzing, Paul Christoph; Baumann, Christoph Heinrich; Bearden, Ian Gardner; Beck, Hans; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bellwied, Rene; Belmont-Moreno, Ernesto; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bergognon, Anais Annick Erica; Bertens, Redmer Alexander; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bhom, Jihyun; Bianchi, Nicola; Bianchi, Livio; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Bjelogrlic, Sandro; Blanco, F; Blanco, Francesco; Blau, Dmitry; Blume, Christoph; Boccioli, Marco; Boettger, Stefan; Bogdanov, Alexey; Boggild, Hans; Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Book, Julian; Borel, Herve; Borissov, Alexander; Bossu, Francesco; Botje, Michiel; Botta, Elena; Braidot, Ermes; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Broker, Theo Alexander; Browning, Tyler Allen; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Buncic, Predrag; Busch, Oliver; Buthelezi, Edith Zinhle; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Francesco; Carena, Wisla; Carlin Filho, Nelson; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Castillo Castellanos, Javier Ernesto; Castillo Hernandez, Juan Francisco; Casula, Ester Anna Rita; Catanescu, Vasile; Cavicchioli, Costanza; Ceballos Sanchez, Cesar; Cepila, Jan; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Colamaria, Fabio; Colella, Domenico; Collu, Alberto; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Connors, Megan Elizabeth; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortese, Pietro; Cortes Maldonado, Ismael; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cruz Alaniz, Emilia; Cruz Albino, Rigoberto; Cuautle, Eleazar; Cunqueiro, Leticia; Dainese, Andrea; Dalsgaard, Hans Hjersing; Dang, Ruina; Danu, Andrea; Das, Kushal; Das, Indranil; Das, Supriya; Das, Debasish; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; Delagrange, Hugues; Deloff, Andrzej; De Marco, Nora; Denes, Ervin; De Pasquale, Salvatore; Deppman, Airton; D'Erasmo, Ginevra; de Rooij, Raoul Stefan; Diaz Corchero, Miguel Angel; Di Bari, Domenico; Dietel, Thomas; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Donigus, Benjamin; Dordic, Olja; Driga, Olga; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, AK; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erazmus, Barbara; Erdal, Hege Austrheim; Eschweiler, Dominic; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Evdokimov, Sergey; Eyyubova, Gyulnara; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fehlker, Dominik; Feldkamp, Linus; Felea, Daniel; Feliciello, Alessandro; Fenton-Olsen, Bo; Feofilov, Grigory; Fernandez Tellez, Arturo; Ferretti, Alessandro; Festanti, Andrea; Figiel, Jan; Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Floratos, Emmanuel; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furget, Christophe; Fusco Girard, Mario; Gaardhoje, Jens Joergen; Gagliardi, Martino; Gago, Alberto; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Garabatos, Jose; Garcia-Solis, Edmundo; Gargiulo, Corrado; Garishvili, Irakli; Gerhard, Jochen; Germain, Marie; Geuna, Claudio; Gheata, Andrei George; Gheata, Mihaela; Ghidini, Bruno; Ghosh, Premomoy; Gianotti, Paola; Girard, Martin Robert; Giubellino, Paolo; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez, Ramon; Gonzalez Ferreiro, Elena; Gonzalez-Trueba, Laura Helena; Gonzalez-Zamora, Pedro; Gorbunov, Sergey; Goswami, Ankita; Gotovac, Sven; Graczykowski, Lukasz Kamil; Grajcarek, Robert; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoriev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grinyov, Boris; Grion, Nevio; Gros, Philippe; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerzoni, Barbara; Guilbaud, Maxime Rene Joseph; Gulbrandsen, Kristjan Herlache; Gulkanyan, Hrant; Gunji, Taku; Gupta, Ramni; Gupta, Anik; Haake, Rudiger; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Han, Byounghee; Hanratty, Luke David; Hansen, Alexander; Harmanova, Zuzana; Harris, John William; Hartig, Matthias; Harton, Austin; Hatzifotiadou, Despoina; Hayashi, Shinichi; Hayrapetyan, Arsen; Heckel, Stefan Thomas; Heide, Markus Ansgar; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Herrmann, Norbert; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hicks, Bernard; Hippolyte, Boris; Hori, Yasuto; Hristov, Peter Zahariev; Hrivnacova, Ivana; Huang, Meidana; Humanic, Thomas; Hwang, Dae Sung; Ichou, Raphaelle; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Incani, Elisa; Innocenti, Pier Giorgio; Innocenti, Gian Michele; Ippolitov, Mikhail; Irfan, Muhammad; Ivan, Cristian George; Ivanov, Vladimir; Ivanov, Andrey; Ivanov, Marian; Ivanytskyi, Oleksii; Jacholkowski, Adam Wlodzimierz; Jacobs, Peter; Jahnke, Cristiane; Jang, Haeng Jin; Janik, Malgorzata Anna; Jayarathna, Sandun; Jena, Satyajit; Jha, Deeptanshu Manu; Jimenez Bustamante, Raul Tonatiuh; Jones, Peter Graham; Jung, Hyung Taik; Jusko, Anton; Kaidalov, Alexei; Kalcher, Sebastian; Kalinak, Peter; Kalliokoski, Tuomo Esa Aukusti; Kalweit, Alexander Philipp; Kang, Ju Hwan; Kaplin, Vladimir; Kar, Somnath; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kazantsev, Andrey; Kebschull, Udo Wolfgang; Keidel, Ralf; Ketzer, Bernhard Franz; Khan, Kamal Hussain; Khan, Mohisin Mohammed; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Minwoo; Kim, Se Yong; Kim, Beomkyu; Kim, Taesoo; Kim, Dong Jo; Kim, Do Won; Kim, Jonghyun; Kim, Jin Sook; Kim, Mimae; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kliemant, Michael; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Kohler, Markus; Kollegger, Thorsten; Kolojvari, Anatoly; Kompaniets, Mikhail; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Kovalenko, Vladimir; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kravcakova, Adela; Krelina, Michal; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucera, Vit; Kucheriaev, Yury; Kugathasan, Thanushan; Kuhn, Christian Claude; Kuijer, Paul; Kulakov, Igor; Kumar, Jitendra; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Svetlana; Kushpil, Vasily; Kvaerno, Henning; Kweon, Min Jung; Kwon, Youngil; Ladron de Guevara, Pedro; Lakomov, Igor; Langoy, Rune; La Pointe, Sarah Louise; Lara, Camilo Ernesto; Lardeux, Antoine Xavier; La Rocca, Paola; Lea, Ramona; Lechman, Mateusz; Lee, Sung Chul; Lee, Graham Richard; Legrand, Iosif; Lehnert, Joerg Walter; Lemmon, Roy Crawford; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon, Hermes; Leoncino, Marco; Leon Monzon, Ildefonso; Levai, Peter; Li, Shuang; Lien, Jorgen; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Lodato, Davide Francesco; Loenne, Per-Ivar; Loggins, Vera; Loginov, Vitaly; Lohner, Daniel; Loizides, Constantinos; Loo, Kai Krister; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luo, Jiebin; Luparello, Grazia; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; 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Xaplanteris Karampatsos, Leonidas; Yaldo, Chris G; Yamaguchi, Yorito; Yang, Shiming; Yang, Ping; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yoo, In-Kwon; Yoon, Jongik; Yu, Weilin; Yuan, Xianbao; Yushmanov, Igor; Zaccolo, Valentina; Zach, Cenek; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zaviyalov, Nikolai; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhang, Yonghong; Zhou, Daicui; Zhou, Fengchu; Zhou, You; Zhu, Hongsheng; Zhu, Jianlin; Zhu, Xiangrong; Zhu, Jianhui; Zichichi, Antonino; Zimmermann, Alice; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo; Zyzak, Maksym

    2013-11-04

    We present the first wide-range measurement of the charged-particle pseudorapidity density distribution, for different centralities (the 0-5%, 5-10%, 10-20%, and 20-30% most central events) in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV at the LHC. The measurement is performed using the full coverage of the ALICE detectors, -5.0 < $\\eta$ < 5.5, and employing a special analysis technique based on collisions arising from LHC ' satellite' bunches. We present the pseudorapidity density as a function of the number of participating nucleons as well as an extrapolation to the total number of produced charged particles ($N_{ch}$ = 17165 +/- 772 for the 0-5% most central collisions). From the measured d$N_{ch}$/d$\\eta$ distribution we derive the rapidity density distribution, d$N_{ch}$/dy, under simple assumptions. The rapidity density distribution is found to be significantly wider than the predictions of the Landau model, which reproduce data well at RHIC energies. We assess the validity of longitudinal sca...

  17. Investigation of charges carrier density in phosphorus and boron doped SiN{sub x}:H layers for crystalline silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Paviet-Salomon, B., E-mail: bertrand.paviet-salomon@epfl.ch [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Gall, S. [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Slaoui, A. [Institut de l’Électronique du Solide et des Systèmes (InESS), Unité Mixte de Recherche 7163 Centre National de la Recherche Scientifique-Université de Strasbourg (UMR 7163 CNRS-UDS), 23 rue du Loess, BP 20 CR, 67037 Strasbourg (France)

    2013-05-15

    Highlights: ► We investigate the properties of phosphorus and boron-doped silicon nitride films. ► Phosphorus-doped layers yield higher lifetimes than undoped ones. ► The fixed charges density decreases when increasing the films phosphorus content. ► Boron-doped films feature very low lifetimes. ► These doped layers are of particular interest for crystalline silicon solar cells. -- Abstract: Dielectric layers are of major importance in crystalline silicon solar cells processing, especially as anti-reflection coatings and for surface passivation purposes. In this paper we investigate the fixed charge densities (Q{sub fix}) and the effective lifetimes (τ{sub eff}) of phosphorus (P) and boron (B) doped silicon nitride layers deposited by plasma-enhanced chemical vapour deposition. P-doped layers exhibit a higher τ{sub eff} than standard undoped layers. In contrast, B-doped layers exhibit lower τ{sub eff}. A strong Q{sub fix} decrease is to be seen when increasing the P content within the film. Based on numerical simulations we also demonstrate that the passivation obtained with P- and B-doped layers are limited by the interface states rather than by the fixed charges.

  18. Measurement of charged particle multiplicities and densities in pp collisions root s=7 TeV in the forward region

    NARCIS (Netherlands)

    Aaij, R.; Adeva, B.; Adinolfi, M.; Affolder, A.; Ajaltouni, Z.; Albrecht, J.; Alessio, F.; Alexander, M.; Ali, S.; Alkhazov, G.; Cartelle, P. Alvarez; Alves, A. A.; Amato, S.; Amerio, S.; Amhis, Y.; Anderlini, L.; Anderson, J.; Andreassen, R.; Andreotti, M.; Andrews, J. E.; Appleby, R. B.; Gutierrez, O. Aquines; Archilli, F.; Artamonov, A.; Artuso, M.; Aslanides, E.; Auriemma, G.; Baalouch, M.; Bachmann, S.; Back, J. J.; Badalov, A.; Balagura, V.; Baldini, W.; Barlow, R. J.; Barschel, C.; Barsuk, S.; Barter, W.; Batozskaya, V.; Bauer, Th.; Bay, A.; Beddow, J.; Bedeschi, F.; Bediaga, I.; Belogurov, S.; Belous, K.; Belyaev, I.; Ben-Haim, E.; Bencivenni, G.; Benson, S.; Benton, J.; Berezhnoy, A.; Bernet, R.; Bettler, M-O; van Beuzekom, M.; Bien, A.; Bifani, S.; Bird, T.; Bizzeti, A.; Bjornstad, P. M.; Blake, T.; Blanc, F.; Blouw, J.; Blusk, S.; Bocci, V.; Bondar, A.; Bondar, N.; Bonivento, W.; Borghi, S.; Borgia, A.; Borsato, M.; Bowcock, T. J. V.; Bowen, E.; Bozzi, C.; Brambach, T.; van den Brand, J.; Bressieux, J.; Brett, D.; Britsch, M.; Britton, T.; Brook, N. H.; Brown, H.; Bursche, A.; Busetto, G.; Buytaert, J.; Cadeddu, S.; Calabrese, R.; Callot, O.; Calvi, M.; Calvo Gomez, M.; Camboni, A.; Campana, P.; Perez, D. Campora; Carbone, A.; Carboni, G.; Cardinale, R.; Cardini, A.; Carranza-Mejia, H.; Carson, L.; Akiba, K. Carvalho; Casse, G.; Cassina, L.; Garcia, L. Castillo; Cattaneo, M.; Cauet, Ch.; Cenci, R.; Charles, M.; Charpentier, Ph.; Cheung, S-F; Chiapolini, N.; Chrzaszcz, M.; Ciba, K.; Vidal, X. Cid; Ciezarek, G.; Clarke, P. E. L.; Clemencic, M.; Cliff, H. V.; Closier, J.; Coca, C.; Coco, V.; Cogan, J.; Cogneras, E.; Collins, P.; Comerma-Montells, A.; Contu, A.; Cook, A.; Coombes, M.; Coquereau, S.; Corti, G.; Counts, I.; Couturier, B.; Cowan, G. A.; Craik, D. C.; Torres, M. Cruz; Cunliffe, S.; Currie, R.; D'Ambrosio, C.; Dalseno, J.; David, P.; David, P. N. Y.; Davis, A.; De Bonis, I.; De Bruyn, K.; De Capua, S.; De Cian, M.; De Miranda, J. M.; De Paula, L.; De Silva, W.; De Simone, P.; Decamp, D.; Deckenhoff, M.; Del Buono, L.; Deleage, N.; Derkach, D.; Deschamps, O.; Dettori, F.; Di Canto, A.; Dijkstra, H.; Donleavy, S.; Dordei, F.; Dorigo, M.; Dorosz, P.; Dosil Suarez, A.; Dossett, D.; Dovbnya, A.; Dupertuis, F.; Durante, P.; Dzhelyadin, R.; Dziurda, A.; Dzyuba, A.; Easo, S.; Egede, U.; Egorychev, V.; Eidelman, S.; Eisenhardt, S.; Eitschberger, U.; Ekelhof, R.; Eklund, L.; El Rifai, I.; Elsasser, Ch.; Esen, S.; Falabella, A.; Faerber, C.; Farinelli, C.; Farry, S.; Ferguson, D.; Fernandez Albor, V.; Ferreira Rodrigues, F.; Ferro-Luzzi, M.; Filippov, S.; Fiore, M.; Fiorini, M.; Fitzpatrick, C.; Fontana, M.; Fontanelli, F.; Forty, R.; Francisco, O.; Frank, M.; Frei, C.; Frosini, M.; Fu, J.; Furfaro, E.; Gallas Torreira, A.; Galli, D.; Gandelman, M.; Gandini, P.; Gao, Y.; Garofoli, J.; Tico, J. Garra; Garrido, L.; Gaspar, C.; Gauld, R.; Gavardi, L.; Gersabeck, E.; Gersabeck, M.; Gershon, T.; Ghez, Ph.; Gianelle, A.; Giani, S.; Gibson, V.; Giubega, L.; Gligorov, V. V.; Goebel, C.; Golubkov, D.; Golutvin, A.; Gomes, A.; Gordon, H.; Gandara, M. Grabalosa; Graciani Diaz, R.; Cardoso, L. A. Granado; Grauges, E.; Graziani, G.; Grecu, A.; Greening, E.; Gregson, S.; Griffith, P.; Grillo, L.; Grunberg, O.; Gui, B.; Gushchin, E.; Guz, Yu.; Gys, T.; Hadjivasiliou, C.; Haefeli, G.; Haen, C.; Hafkenscheid, T. W.; Haines, S. C.; Hall, S.; Hamilton, B.; Hampson, T.; Hansmann-Menzemer, S.; Harnew, N.; Harnew, S. T.; Harrison, J.; Hartmann, T.; He, J.; Head, T.; Heijne, V.; Hennessy, K.; Henrard, P.; Henry, L.; Hernando Morata, J. A.; van Herwijnen, E.; Hess, M.; Hicheur, A.; Hill, D.; Hoballah, M.; Hombach, C.; Hulsbergen, W.; Hunt, P.; Hussain, N.; Hutchcroft, D.; Hynds, D.; Iakovenko, V.; Idzik, M.; Ilten, P.; Jacobsson, R.; Jaeger, A.; Jans, E.; Jaton, P.; Jawahery, A.; Jing, F.; John, M.; Johnson, D.; Jones, C. R.; Joram, C.; Jost, B.; Jurik, N.; Kaballo, M.; Kandybei, S.; Kanso, W.; Karacson, M.; Karbach, T. M.; Kelsey, M.; Kenyon, I. R.; Ketel, T.; Khanji, B.; Khurewathanakul, C.; Klaver, S.; Kochebina, O.; Komarov, I.; Koopman, R. F.; Koppenburg, P.; Korolev, M.; Kozlinskiy, A.; Kravchuk, L.; Kreplin, K.; Kreps, M.; Krocker, G.; Krokovny, P.; Kruse, F.; Kucharczyk, M.; Kudryavtsev, V.; Kurek, K.; Kvaratskheliya, T.; La Thi, V. N.; Lacarrere, D.; Lafferty, G.; Lai, A.; Lambert, D.; Lambert, R. W.; Lanciotti, E.; Lanfranchi, G.; Langenbruch, C.; Latham, T.; Lazzeroni, C.; Le Gac, R.; van Leerdam, J.; Lees, J-P; Lefevre, R.; Leflat, A.; Lefrancois, J.; Leo, S.; Leroy, O.; Lesiak, T.; Leverington, B.; Li, Y.; Liles, M.; Lindner, R.; Linn, C.; Lionetto, F.; Liu, B.; Liu, G.; Lohn, S.; Longstaff, I.; Lopes, J. H.; Lopez-March, N.; Lowdon, P.; Lu, H.; Lucchesi, D.; Luisier, J.; Luo, H.; Luppi, E.; Lupton, O.; Machefert, F.; Machikhiliyan, I. V.; Maciuc, F.; Maev, O.; Malde, S.; Manca, G.; Mancinelli, G.; Manzali, M.; Maratas, J.; Marconi, U.; Marino, P.; Maerki, R.; Marks, J.; Martellotti, G.; Martens, A.; Sanchez, A. Martin; Martinelli, M.; Santos, D. Martinez; Martinez Vidal, F.; Martins Tostes, D.; Massafferri, A.; Matev, R.; Mathe, Z.; Matteuzzi, C.; Mazurov, A.; McCann, M.; McCarthy, J.; McNab, A.; McNulty, R.; McSkelly, B.; Meadows, B.; Meier, F.; Meissner, M.; Merk, M.; Milanes, D. A.; Minard, M-N; Molina Rodriguez, J.; Monteil, S.; Moran, D.; Morandin, M.; Morawski, P.; Morda, A.; Morello, M. J.; Mountain, R.; Muheim, F.; Mueller, K.; Muresan, R.; Muryn, B.; Muster, B.; Naik, P.; Nakada, T.; Nandakumar, R.; Nasteva, I.; Needham, M.; Neri, N.; Neubert, S.; Neufeld, N.; Nguyen, A. D.; Nguyen, T. D.; Nguyen-Mau, C.; Nicol, M.; Niess, V.; Niet, R.; Nikitin, N.; Nikodem, T.; Novoselov, A.; Oblakowska-Mucha, A.; Obraztsov, V.; Oggero, S.; Ogilvy, S.; Okhrimenko, O.; Oldeman, R.; Onderwater, G.; Orlandea, M.; Otalora Goicochea, J. M.; Owen, P.; Oyanguren, A.; Pal, B. K.; Palano, A.; Palombo, F.; Palutan, M.; Panman, J.; Papanestis, A.; Pappagallo, M.; Pappalardo, L.; Parkes, C.; Parkinson, C. J.; Passaleva, G.; Patel, G. D.; Patel, M.; Patrignani, C.; Pavel-Nicorescu, C.; Pazos Alvarez, A.; Pearce, A.; Pellegrino, A.; Penso, G.; Pepe Altarelli, M.; Perazzini, S.; Perez Trigo, E.; Perret, P.; Perrin-Terrin, M.; Pescatore, L.; Pesen, E.; Pessina, G.; Petridis, K.; Petrolini, A.; Picatoste Olloqui, E.; Pietrzyk, B.; Pilar, T.; Pinci, D.; Pistone, A.; Playfer, S.; Plo Casasus, M.; Polci, F.; Polok, G.; Poluektov, A.; Polycarpo, E.; Popov, A.; Popov, D.; Popovici, B.; Potterat, C.; Powell, A.; Prisciandaro, J.; Pritchard, A.; Prouve, C.; Pugatch, V.; Navarro, A. Puig; Punzi, G.; Qian, W.; Rachwal, B.; Rademacker, J. H.; Rakotomiaramanana, B.; Rama, M.; Rangel, M. S.; Raniuk, I.; Rauschmayr, N.; Raven, G.; Redford, S.; Reichert, S.; Reid, M. M.; dos Reis, A. C.; Ricciardi, S.; Richards, A.; Rinnert, K.; Rives Molina, V.; Romero, D. A. Roa; Robbe, P.; Roberts, D. A.; Rodrigues, A. B.; Rodrigues, E.; Rodriguez Perez, P.; Roiser, S.; Romanovsky, V.; Romero Vidal, A.; Rotondo, M.; Rouvinet, J.; Ruf, T.; Ruffini, F.; Ruiz, H.; Ruiz Valls, P.; Sabatino, G.; Saborido Silva, J. J.; Sagidova, N.; Sail, P.; Saitta, B.; Salustino Guimaraes, V.; Sanmartin Sedes, B.; Santacesaria, R.; Santamarina Rios, C.; Santovetti, E.; Sapunov, M.; Sarti, A.; Satriano, C.; Satta, A.; Savrie, M.; Savrina, D.; Schiller, M.; Schindler, H.; Schlupp, M.; Schmelling, M.; Schmidt, B.; Schneider, O.; Schopper, A.; Schune, M-H; Schwemmer, R.; Sciascia, B.; Sciubba, A.; Seco, M.; Semennikov, A.; Senderowska, K.; Sepp, I.; Serra, N.; Serrano, J.; Seyfert, P.; Shapkin, M.; Shapoval, I.; Shcheglov, Y.; Shears, T.; Shekhtman, L.; Shevchenko, O.; Shevchenko, V.; Shires, A.; Coutinho, R. Silva; Simi, G.; Sirendi, M.; Skidmore, N.; Skwarnicki, T.; Smith, N. A.; Smith, E.; Smith, E.; Smith, J.; Smith, M.; Snoek, H.; Sokoloff, M. D.; Soler, F. J. P.; Soomro, F.; Souza, D.; Souza De Paula, B.; Spaan, B.; Sparkes, A.; Spinella, F.; Spradlin, P.; Stagni, F.; Stahl, S.; Steinkamp, O.; Stevenson, S.; Stoica, S.; Stone, S.; Storaci, B.; Stracka, S.; Straticiuc, M.; Straumann, U.; Stroili, R.; Subbiah, V. K.; Sun, L.; Sutcliffe, W.; Swientek, S.; Syropoulos, V.; Szczekowski, M.; Szczypka, P.; Szilard, D.; Szumlak, T.; T'Jampens, S.; Teklishyn, M.; Tellarini, G.; Teodorescu, E.; Teubert, F.; Thomas, C.; Thomas, E.; van Tilburg, J.; Tisserand, V.; Tobin, M.; Tolk, S.; Tomassetti, L.; Tonelli, D.; Topp-Joergensen, S.; Torr, N.; Tournefier, E.; Tourneur, S.; Tran, M. T.; Tresch, M.; Tsaregorodtsev, A.; Tsopelas, P.; Tuning, N.; Garcia, M. Ubeda; Ukleja, A.; Ustyuzhanin, A.; Uwer, U.; Vagnoni, V.; Valenti, G.; Vallier, A.; Gomez, R. Vazquez; Vazquez Regueiro, P.; Vazquez Sierra, C.; Vecchi, S.; Velthuis, J. J.; Veltri, M.; Veneziano, G.; Vesterinen, M.; Viaud, B.; Vieira, D.; Vilasis-Cardona, X.; Vollhardt, A.; Volyanskyy, D.; Voong, D.; Vorobyev, A.; Vorobyev, V.; Voss, C.; Voss, H.; de Vries, J. A.; Waldi, R.; Wallace, C.; Wallace, R.; Wandernoth, S.; Wang, J.; Ward, D. R.; Watson, N. K.; Webber, A. D.; Websdale, D.; Whitehead, M.; Wicht, J.; Wiechczynski, J.; Wiedner, D.; Wiggers, L.; Wilkinson, G.; Williams, M. P.; Williams, M.; Wilson, F. F.; Wimberley, J.; Wishahi, J.; Wislicki, W.; Witek, M.; Wormser, G.; Wotton, S. A.; Wright, S.; Wu, S.; Wyllie, K.; Xie, Y.; Xing, Z.; Yang, Z.; Yuan, X.; Yushchenko, O.; Zangoli, M.; Zavertyaev, M.; Zhang, F.; Zhang, L.; Zhang, W. C.; Zhang, Y.; Zhelezov, A.; Zhokhov, A.; Zhong, L.; Zvyagin, A.

    2014-01-01

    Charged particle multiplicities are studied in proton-proton collisions in the forward region at a centre-of-mass energy of TeV with data collected by the LHCb detector. The forward spectrometer allows access to a kinematic range of in pseudorapidity, momenta greater than and transverse momenta

  19. Effect of charge density of polysaccharides on self-assembled intragastric gelation of whey protein/polysaccharide under simulated gastric conditions.

    Science.gov (United States)

    Zhang, Sha; Zhang, Zhong; Vardhanabhuti, Bongkosh

    2014-08-01

    This study focuses on the behavior of mixed protein and polysaccharides with different charge densities under simulated gastric conditions. Three types of polysaccharides, namely, guar gum, xanthan gum and carrageenan (neutral, medium negatively, and highly negatively charged, respectively) were selected for heating together with whey protein isolate (WPI) at a biopolymer ratio ranging from 0.01 to 0.1. Upon mixing with simulated gastric fluid (SGF), all WPI-guar gum samples remained soluble, whereas WPI-xanthan gum and WPI-carrageenan at biopolymer ratio higher than 0.01 led to self-assembled intragastric gelation immediately after mixing with SGF. The mechanism behind the intragastric gelation is believed to be the cross-linking between oppositely charged protein and polysaccharides when pH was reduced to below the pI of the protein. Higher biopolymer ratio led to a higher degree of intermolecular interaction, which tends to form stronger gel. More negatively charged carrageenan also formed a stronger gel than xanthan gum. SDS-PAGE results show that the digestibility of protein was not affected by the presence of guar gum as well as xanthan gum and carrageenan at biopolymer ratio lower than 0.02. However, intragastric gel formed by WPI-xanthan gum and WPI-carrageenan at biopolymer ratio higher than 0.02 significantly slows down the digestion rate of protein, which could potentially be used to delay gastric emptying and promote satiety.

  20. Measurement of the forward charged particle pseudorapidity density in pp collisions at √s = 8 TeV using a displaced interaction point

    CERN Document Server

    Antchev, G.; Atanassov, I.; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bottigli, U.; Bozzo, M.; Brücken, E.; Buzzo, A.; Cafagna, F.S.; Catanesi, M.G.; Covault, C.; Csanád, M.; Csörgő, T.; Deile, M.; Doubek, M.; Eggert, K.; Eremin, V.; Ferro, F.; Fiergolski, A.; Garcia, F.; Georgiev, V.; Giani, S.; Grzanka, L.; Hammerbauer, J.; Heino, J.; Hilden, T.; Karev, A.; Kašpar, J.; Kopal, J.; Kundrát, V.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lippmaa, J.; Lokajíček, M.V.; Losurdo, L.; Lo Vetere, M.; Lucas Rodriguez, F.; Macrí, M.; Mäki, T.; Mercadante, A.; Minafra, N.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Österberg, K.; Palazzi, P.; Peroutka, Z.; Procházka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Scribano, A.; Smajek, J.; Snoeys, W.; Sodzawiczny, T.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Welti, J.; Whitmore, J.; Wyszkowski, P.; Zielinski, K.

    2015-01-01

    The the pseudorapidity density of charged particles dN$_{ch}$/d$\\eta$ is measured by the TOTEM experiment in pp collisions at √s = 8 TeV within the range 3.9 0 MeV/c, produced in inelastic interactions with at least one charged particle in −7 < $\\eta$ < −6 or 3.7< $\\eta$ < 4.8. The dN$_{ch}$/d$\\eta$ has been found to decrease with |$\\eta$|, from 5.11 ± 0.73 at $\\eta$ =3.95 to 1.81 ± 0.56 at $\\eta$ = −6.925. Several MC generators are compared to the data and are found to be within the systematic uncertainty of the measurement.

  1. Terahertz spectra revealing the collective excitation mode in charge-density-wave single crystal LuFe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiumei; Jin, Zuanming; Lin, Xian; Ma, Guohong [Department of Physics, Shanghai University (China); Cheng, Zhenxiang [Institute for Superconducting and Electronic Materials, University of Wollongong, NSW (Australia); Balakrishnan, Geetha [Department of Physics, University of Warwick, Coventry (United Kingdom)

    2017-09-15

    A low-energy collective excitation mode in charge-ordered multiferroic LuFe{sub 2}O{sub 4} is reported via terahertz time-domain spectroscopy. Upon cooling from 300 to 40 K, the central resonance frequency showed a pronounced hardening from 0.85 to 1.15 THz. In analogy to the well-known low-energy optical properties of LuFe{sub 2}O{sub 4}, this emerging resonance was attributed to the charge-density-wave (CDW) collective excitations. By using the Drude-Lorentz model fitting, the CDW collective mode becomes increasingly damped with the increasing temperature. Furthermore, the kinks of the CDW collective mode at the magnetic transition temperature are analyzed, which indicate the coupling of spin order with electric polarization. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Wave-vector-dependent electron-phonon coupling and the charge-density-wave transition in TbT e3

    Science.gov (United States)

    Maschek, M.; Rosenkranz, S.; Heid, R.; Said, A. H.; Giraldo-Gallo, P.; Fisher, I. R.; Weber, F.

    2015-06-01

    We present a high-energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave (CDW) system TbT e3 . We analyze our data based on lattice dynamical calculations using density-functional-perturbation theory and find clear evidence that strongly momentum-dependent electron-phonon coupling defines the periodicity of the CDW superstructure: Our experiment reveals strong phonon softening and increased phonon linewidths over a large part in reciprocal space adjacent to the CDW ordering vector qCDW=(0 ,0 ,0.3 ) . Further, qCDW is clearly offset from the wave vector of (weak) Fermi surface nesting qFS=(0 ,0 ,0.25 ) , and our detailed analysis indicates that electron-phonon coupling is responsible for this shift. Hence, we can add TbT e3 , which was previously considered as a canonical CDW compound following the Peierls scenario, to the list of distinct charge-density-wave materials characterized by momentum-dependent electron-phonon coupling.

  3. DNA Condensation by Partially Acetylated Poly(amido amine Dendrimers: Effects of Dendrimer Charge Density on Complex Formation

    Directory of Open Access Journals (Sweden)

    Ronald G. Larson

    2013-09-01

    Full Text Available The ability of poly(amido amine (or PAMAM dendrimers to condense semiflexible dsDNA and penetrate cell membranes gives them great potential in gene therapy and drug delivery but their high positive surface charge makes them cytotoxic. Here, we describe the effects of partial neutralization by acetylation on DNA condensation using light scattering, circular dichroism, and single molecule imaging of dendrimer-DNA complexes combed onto surfaces and tethered to those surfaces under flow. We find that DNA can be condensed by generation-five (G5 dendrimers even when the surface charges are more than 65% neutralized, but that such dendrimers bind negligibly when an end-tethered DNA is stretched in flow. We also find that when fully charged dendrimers are introduced by flow to end-tethered DNA, all DNA molecules become equally highly coated with dendrimers at a rate that becomes very fast at high dendrimer concentration, and that dendrimers remain bound during subsequent flow of dendrimer-free buffer. These results suggest that the presence of dendrimer-free DNA coexisting with dendrimer-bound DNA after bulk mixing of the two in solution may result from diffusion-limited irreversible dendrimer-DNA binding, rather than, or in addition to, the previously proposed cooperative binding mechanism of dendrimers to DNA.

  4. Direct Imaging of Charge Density Modulation in Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography

    Science.gov (United States)

    2015-08-16

    Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136...directly imaged the charge carrier densities and spatial distributions at the (001) LaAlO3/SrTiO3 heterointerfaces by in-situ TEM holography . The new...Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 61102F

  5. Incommensurate charge-density-wave state in α-uranium: A high-resolution x-ray and neutron-scattering study

    International Nuclear Information System (INIS)

    Gruebel, G.; Axe, J.D.; Gibbs, D.; Lander, G.H.; Marmeggi, J.C.; Brueckel, T.

    1991-01-01

    The incommensurate charge-density-wave state, which develops in α-uranium below 47 K, was studied in high-resolution x-ray and neutron-scattering experiments. Lock-in transitions of the incommensurate modulation wave vector were observed at 38 K (q x =1/2) and 22 K (q y =1/6,q z = 2) / 11 ) and explained in terms of a Landau theory. The simultaneous lock-in transformation of both the q y and q z components is accompanied by the formation of a phase-discommensuration lattice along the z axis

  6. Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2

    Science.gov (United States)

    Hellgren, Maria; Baima, Jacopo; Bianco, Raffaello; Calandra, Matteo; Mauri, Francesco; Wirtz, Ludger

    2017-10-01

    We show that the inclusion of screened exchange via hybrid functionals provides a unified description of the electronic and vibrational properties of TiSe2 . In contrast to local approximations in density functional theory, the explicit inclusion of exact, nonlocal exchange captures the effects of the electron-electron interaction needed to both separate the Ti -d states from the Se -p states and stabilize the charge-density-wave (CDW) (or low-T ) phase through the formation of a p -d hybridized state. We further show that this leads to an enhanced electron-phonon coupling that can drive the transition even if a small gap opens in the high-T phase. Finally, we demonstrate that the hybrid functionals can generate a CDW phase where the electronic bands, the geometry, and the phonon frequencies are in agreement with experiments.

  7. Pseudorapidity density of charged particles in p+Pb collisions at √(s(NN))=5.02 TeV.

    Science.gov (United States)

    Abelev, B; Adam, J; Adamová, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agnello, M; Agocs, A G; Agostinelli, A; Ahammed, Z; Ahmad, N; Ahmad Masoodi, A; Ahn, S U; Ahn, S A; Ajaz, M; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Alkin, A; Almaráz Aviña, E; Alme, J; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anielski, J; Anson, C; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Arslandok, M; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bailhache, R; Bala, R; Baldini Ferroli, R; Baldisseri, A; Baltasar Dos Santos Pedrosa, F; Bán, J; Baral, R C; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Basu, S; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Behera, N K; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Bencedi, G; Beole, S; Berceanu, I; Bercuci, A; Berdnikov, Y; Berenyi, D; Bergognon, A A E; Berzano, D; Betev, L; Bhasin, A; Bhati, A K; Bhom, J; Bianchi, L; Bianchi, N; Bielčík, J; Bielčíková, J; Bilandzic, A; Bjelogrlic, S; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Böttger, S; Bogdanov, A; Bøggild, H; Bogolyubsky, M; Boldizsár, L; Bombara, M; Book, J; Borel, H; Borissov, A; Bossú, F; Botje, M; Botta, E; Braidot, E; Braun-Munzinger, P; Bregant, M; Breitner, T; Browning, T A; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bufalino, S; Busch, O; Buthelezi, Z; Caballero Orduna, D; Caffarri, D; Cai, X; Caines, H; Calvo Villar, E; Camerini, P; Canoa Roman, V; Cara Romeo, G; Carena, W; Carena, F; Carlin Filho, N; Carminati, F; Casanova Díaz, A; Castillo Castellanos, J; Castillo Hernandez, J F; Casula, E A R; Catanescu, V; Cavicchioli, C; Ceballos Sanchez, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Chawla, I; Cherney, M; Cheshkov, C; Cheynis, B; Chibante Barroso, V; Chinellato, D D; Chochula, P; Chojnacki, M; Choudhury, S; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Chung, S U; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Coccetti, F; Colamaria, F; Colella, D; Collu, A; Conesa Balbastre, G; Conesa del Valle, Z; Connors, M E; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortese, P; Cortés Maldonado, I; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cruz Alaniz, E; Cuautle, E; Cunqueiro, L; Dainese, A; Dalsgaard, H H; Danu, A; Das, K; Das, I; Das, S; Das, D; Dash, S; Dash, A; De, S; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; Delagrange, H; Deloff, A; De Marco, N; Dénes, E; De Pasquale, S; Deppman, A; Erasmo, G D; de Rooij, R; Diaz Corchero, M A; Di Bari, D; Dietel, T; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Divià, R; Djuvsland, Ø; Dobrin, A; Dobrowolski, T; Dönigus, B; Dordic, O; Driga, O; Dubey, A K; Dubla, A; Ducroux, L; Dupieux, P; Dutta Majumdar, M R; Dutta Majumdar, A K; Elia, D; Emschermann, D; Engel, H; Erazmus, B; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Eyyubova, G; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fehlker, D; Feldkamp, L; Felea, D; Feliciello, A; Fenton-Olsen, B; Feofilov, G; Fernández Téllez, A; Ferretti, A; Festanti, A; Figiel, J; Figueredo, M A S; Filchagin, S; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Francescon, A; Frankenfeld, U; Fuchs, U; Furget, C; Fusco Girard, M; Gaardhøje, J J; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Gomez, R; Ferreiro, E G; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Goswami, A; Gotovac, S; Grabski, V; Graczykowski, L K; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, S; Grigoryan, A; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Guerra Gutierrez, C; Guerzoni, B; Guilbaud, M; Gulbrandsen, K; Gulkanyan, H; Gunji, T; Gupta, A; Gupta, R; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Han, B H; Hanratty, L D; Hansen, A; Harmanová-Tóthová, Z; Harris, J W; Hartig, M; Harton, A; Hasegan, D; Hatzifotiadou, D; Hayashi, S; Hayrapetyan, A; Heckel, S T; Heide, M; Helstrup, H; Herghelegiu, A; Herrera Corral, G; Herrmann, N; Hess, B A; Hetland, K F; Hicks, B; Hippolyte, B; Hori, Y; Hristov, P; Hřivnáčová, I; Huang, M; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, V; Ivanov, A; Ivanov, M; Ivanytskyi, O; Jachołkowski, A; Jacobs, P M; Jang, H J; Janik, R; Janik, M A; Jayarathna, P H S Y; Jena, S; Jha, D M; Jimenez Bustamante, R T; Jones, P G; Jung, H; Jusko, A; Kaidalov, A B; Kalcher, S; Kaliňák, P; Kalliokoski, T; Kalweit, A; Kang, J H; Kaplin, V; Karasu Uysal, A; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, K H; Khan, P; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D W; Kim, T; Kim, B; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, D J; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bösing, C; Kliemant, M; Kluge, A; Knichel, M L; Knospe, A G; Köhler, M K; Kollegger, T; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskikh, A; Kour, R; Kovalenko, V; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kral, J; Králik, I; Kramer, F; Kravčáková, A; Krawutschke, T; Krelina, M; Kretz, M; Krivda, M; Krizek, F; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kugathasan, T; Kuhn, C; Kuijer, P G; Kulakov, I; Kumar, J; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, V; Kushpil, S; Kvaerno, H; Kweon, M J; Kwon, Y; Ladrón de Guevara, P; Lakomov, I; Langoy, R; La Pointe, S L; Lara, C; Lardeux, A; La Rocca, P; Lea, R; Lechman, M; Lee, K S; Lee, S C; Lee, G R; Legrand, I; Lehnert, J; Lenhardt, M; Lenti, V; León, H; Leoncino, M; León Monzón, I; León Vargas, H; Lévai, P; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Ljunggren, H M; Loenne, P I; Loggins, V R; Loginov, V; Lohner, D; Loizides, C; Loo, K K; Lopez, X; López Torres, E; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luo, J; Luparello, G; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Malaev, M; Maldonado Cervantes, I; Malinina, L; Mal'kevich, D; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Marchisone, M; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Markert, C; Marquard, M; Martashvili, I; Martin, N A; Martinengo, P; Martínez, M I; Martínez Davalos, A; Martínez García, G; Martynov, Y; Mas, A; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastroserio, A; Matthews, Z L; Matyja, A; Mayer, C; Mazer, J; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mercado Pérez, J; Meres, M; Miake, Y; Milano, L; Milosevic, J; Mischke, A; Mishra, A N; Miśkowiec, D; Mitu, C; Mizuno, S; Mlynarz, J; Mohanty, B; Molnar, L; Montaño Zetina, L; Monteno, M; Montes, E; Moon, T; Morando, M; Moreira De Godoy, D A; Moretto, S; Morreale, A; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Mukherjee, M; Müller, H; Munhoz, M G; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navin, S; Nayak, T K; Nazarenko, S; Nedosekin, A; Nicassio, M; Niculescu, M; Nielsen, B S; Niida, T; Nikolaev, S; Nikolic, V; Nikulin, V; Nikulin, S; Nilsen, B S; Nilsson, M S; Noferini, F; Nomokonov, P; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Ochirov, A; Oeschler, H; Oh, S K; Oh, S; Oleniacz, J; Oliveira Da Silva, A C; Oppedisano, C; Ortiz Velasquez, A; Oskarsson, A; Ostrowski, P; Otwinowski, J; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Paić, G; Painke, F; Pajares, C; Pal, S K; Palaha, A; Palmeri, A; Papikyan, V; Pappalardo, G S; Park, W J; Passfeld, A; Pastirčák, B; Patalakha, D I; Paticchio, V; Paul, B; Pavlinov, A; Pawlak, T; Peitzmann, T; Pereira Da Costa, H; Pereira De Oliveira Filho, E; Peresunko, D; Pérez Lara, C E; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Petráček, V; Petran, M; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piyarathna, D B; Planinic, M; Płoskoń, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polák, K; Polichtchouk, B; Pop, A; Porteboeuf-Houssais, S; Pospíšil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Punin, V; Putiš, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Raniwala, R; Raniwala, S; Räsänen, S S; Rascanu, B T; Rathee, D; Read, K F; Real, J S; Redlich, K; Reed, R J; Rehman, A; Reichelt, P; Reicher, M; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J-P; Reygers, K; Riccati, L; Ricci, R A; Richert, T; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rodríguez Cahuantzi, M; Rodriguez Manso, A; Røed, K; Rohr, D; Röhrich, D; Romita, R; Ronchetti, F; Rosnet, P; Rossegger, S; Rossi, A; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Russo, R; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safařík, K; Sahoo, R; Sahu, P K; Saini, J; Sakaguchi, H; Sakai, S; Sakata, D; Salgado, C A; Salzwedel, J; Sambyal, S; Samsonov, V; Sanchez Castro, X; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santagati, G; Santoro, R; Sarkamo, J; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schuster, T; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, P A; 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Telesca, A; Terrevoli, C; Thäder, J; Thomas, D; Tieulent, R; Timmins, A R; Tlusty, D; Toia, A; Torii, H; Toscano, L; Trubnikov, V; Truesdale, D; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Tveter, T S; Ulery, J; Ullaland, K; Ulrich, J; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vajzer, M; Vala, M; Valencia Palomo, L; Vallero, S; Vande Vyvre, P; van Leeuwen, M; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, Y; Vinogradov, L; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vorobyev, I; Vranic, D; Vrláková, J; Vulpescu, B; Vyushin, A; Wagner, V; Wagner, B; Wan, R; Wang, Y; Wang, M; Wang, D; Wang, Y; Watanabe, K; Weber, M; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, G; Wilk, A; Williams, M C S; Windelband, B; Xaplanteris Karampatsos, L; Yaldo, C G; Yamaguchi, Y; Yang, S; Yang, H; Yasnopolskiy, S; Yi, J; Yin, Z; Yoo, I-K; Yoon, J; Yu, W; Yuan, X; Yushmanov, I; Zaccolo, V; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zgura, I S; Zhalov, M; Zhang, H; Zhang, X; Zhou, F; Zhou, D; Zhou, Y; Zhu, J; Zhu, H; Zhu, J; Zhu, X; Zichichi, A; Zimmermann, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M; Zyzak, M

    2013-01-18

    The charged-particle pseudorapidity density measured over four units of pseudorapidity in nonsingle-diffractive p+Pb collisions at a center-of-mass energy per nucleon pair √(s(NN))=5.02 TeV is presented. The average value at midrapidity is measured to be 16.81±0.71 (syst), which corresponds to 2.14±0.17 (syst) per participating nucleon, calculated with the Glauber model. This is 16% lower than in nonsingle-diffractive pp collisions interpolated to the same collision energy and 84% higher than in d+Au collisions at s√(s(NN))=0.2 TeV. The measured pseudorapidity density in p+Pb collisions is compared to model predictions and provides new constraints on the description of particle production in high-energy nuclear collisions.

  8. Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues

    Energy Technology Data Exchange (ETDEWEB)

    Dalpian, Gustavo M.; Liu, Qihang; Stoumpos, Constantinos C.; Douvalis, Alexios P.; Balasubramanian, Mahalingam; Kanatzidis, Mercouri G.; Zunger, Alex

    2017-07-01

    Shifting the Fermi energy in solids by doping, defect formation, or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding pattern in solids to adjust to such external perturbations. In the traditional chemistry textbook, such changes are often described by the formal oxidation states (FOS) whereby a single atom type is presumed to absorb the full burden of the perturbation (change in charge) of the whole compound. In the present paper, we analyze the changes in the position-dependence charge density due to shifts of the Fermi energy on a general physical basis, comparing with the view of the FOS picture. We use the halide perovskites CsSnX3 (X = F, Cl, Br, I) as examples for studying the general principle. When the solar absorber CsSnI3 (termed 113) loses 50% of its Sn atoms, thereby forming the ordered vacancy compound Cs2SnI6 (termed 216), the Sn is said in the FOS picture to change from Sn(II) to Sn(IV). To understand the electronic properties of these two groups we studied the 113 and 216 compound pairs CsSnCl3 and Cs2SnCl6, CsSnBr3 and Cs2SnBr6, and CsSnI3 and Cs2SnI6, complementing them by CsSnF3 and Cs2SnF6 in the hypothetical cubic structure for completing the chemical trends. These materials were also synthesized by chemical routes and characterized by x-ray diffraction, 119Sn-Mössbauer spectroscopy, and K-edge x-ray absorption spectroscopy. We find that indeed in going from 113 to 216 (equivalent to the introduction of two holes per unit) there is a decrease in the s charge on Sn, in agreement with the FOS picture. However, at the same time, we observe an increase of the p charge via downshift of the otherwise unoccupied p level, an effect that tends to replenish much of the lost s charge. At the end, the change in the charge on the Sn site as a result of adding two holes to the unit cell is rather small. This effect is theoretically explained as a “self-regulating response” [Raebiger, Lany

  9. R-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z' = 2.

    Science.gov (United States)

    Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude

    2011-08-01

    The experimental charge-density distribution was determined for 1-(2'-aminophenyl)-2-methyl-4-nitro-1H-imidazole crystals. An anharmonic model was applied to the N atoms of both amino groups and to one nitro group in order to account for high residual peaks after harmonic multipole refinement and to obtain a better charge-density model. Free R-factor calculations [Brünger (1992). Nature, 355, 472-475] with restrained models implemented in MoPro were used to determine the degree of similarity of the two symmetry-independent molecules in the unit cell. The results are compared with 1-phenyl-4-nitroimidazole in order to analyze the influence of the amine and methyl functional groups. The asymmetric unit contains two symmetry-independent molecules giving rise to a dimer connected via strong N-H···N hydrogen bonds; these dimers are the building blocks of the crystal. In the crystal structure there are also weaker interactions and many short directional contacts (C-H···O, C-H···N and C-H···π), for which the Koch-Popelier topological criteria were applied. This analysis revealed that the C-H···π interactions lie at the border between weak hydrogen bonds and van der Waals interactions. Special attention was also paid to stabilizing H···H interactions. It turned out that the electron density, Laplacian and density energies at the critical points show an exponential dependence on the contact distance, similar to the relation found for other interactions.

  10. Electron density characteristics in bond critical point (QTAIM) versus interaction energy components (SAPT): the case of charge-assisted hydrogen bonding.

    Science.gov (United States)

    Bankiewicz, Barbara; Matczak, Piotr; Palusiak, Marcin

    2012-01-12

    Charge-assisted hydrogen bonds (CAHBs) of N-H···Cl, N-H···Br, and P-H···Cl type were investigated using advanced computational approach (MP2/aug-cc-pVTZ level of theory). The properties of electron density function defined in the framework of Quantum Theory of Atoms in Molecules (QTAIM) were estimated as a function of distance in H-bridges. Additionally, the interaction energy decomposition was performed for H-bonded complexes with different H-bond lengths using the Symmetry-Adapted Perturbation Theory (SAPT). In this way both QTAIM parameters and SAPT energy components could be expressed as a function of the same variable, that is, the distance in H-bridge. A detailed analysis of the changes in QTAIM and SAPT parameters due to the changes in H···A distance revealed that, over some ranges of H···A distances, electrostatic, inductive and dispersive components of the SAPT interaction energy show a linear correlation with the value of the electron density at H-BCP ρ(BCP). The linear relation between the induction component, E(ind), and ρ(BCP) confirms numerically the intuitive expectation that the ρ(BCP) reflects directly the effects connected with the sharing of electron density between interacting centers. These conclusions are important in view of charge density studies performed for crystals in which the distance between atoms results not only from effects connected with the interaction between atomic centers directly involved in bonding, but also from packing effects which may strongly influence the length of the H-bond.

  11. Charge density study with the Maximum Entropy Method on model data of silicon. A search for non-nuclear attractors

    NARCIS (Netherlands)

    de Vries, R.Y.; Briels, Willem J.; Feil, D.; te Velde, G.; Baerends, E.J.

    1996-01-01

    1990 Sakata and Sato applied the maximum entropy method (MEM) to a set of structure factors measured earlier by Saka and Kato with the Pendellösung method. They found the presence of non-nuclear attractors, i.e., maxima in the density between two bonded atoms. We applied the MEM to a limited set of

  12. Measurement of the forward charged particle pseudorapidity density in pp collisions at √(s) = 8 TeV using a displaced interaction point

    International Nuclear Information System (INIS)

    Antchev, G.; Aspell, P.; Atanassov, I.; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bottigli, U.; Bozzo, M.; Bruecken, E.; Buzzo, A.; Cafagna, F.S.; Catanesi, M.G.; Covault, C.; Csanad, M.; Csoergo, T.; Deile, M.; Doubek, M.; Eggert, K.; Eremin, V.; Ferro, F.; Fiergolski, A.; Garcia, F.; Georgiev, V.; Giani, S.; Grzanka, L.; Hammerbauer, J.; Heino, J.; Hilden, T.; Karev, A.; Kaspar, J.; Kopal, J.; Kundrat, V.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lippmaa, J.; Lokajicek, M.V.; Losurdo, L.; Lo Vetere, M.; Lucas Rodriguez, F.; Macri, M.; Maeki, T.; Mercadante, A.; Minafra, N.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Oesterberg, K.; Palazzi, P.; Peroutka, Z.; Prochazka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Scribano, A.; Smajek, J.; Snoeys, W.; Sodzawiczny, T.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Welti, J.; Whitmore, J.; Wyszkowski, P.; Zielinski, K.

    2015-01-01

    The pseudorapidity density of charged particles dN ch /dη is measured by the TOTEM experiment in proton-proton collisions at √(s) = 8 TeV within the range 3.9 < η < 4.7 and -6.95 < η < -6.9. Data were collected in a low intensity LHC run with collisions occurring at a distance of 11.25 m from the nominal interaction point. The data sample is expected to include 96-97 % of the inelastic proton-proton interactions. The measurement reported here considers charged particles with p T > 0 MeV/c, produced in inelastic interactions with at least one charged particle in -7 < η < -6 or 3.7 < η < 4.8. The dN ch /dη has been found to decrease with vertical stroke η vertical stroke, from 5.11 ± 0.73 at η = 3.95 to 1.81 ± 0.56 at η = -6.925. Several Monte Carlo generators are compared to the data and are found to be within the systematic uncertainty of the measurement. (orig.)

  13. Charge density wave fluctuations in La{sub 2-x}Sr{sub x}CuO{sub 4} and their competition with superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Croft, Thomas; Lester, Christopher; Hayden, Stephen [H.H. Wills Physics Laboratory, University of Bristol (United Kingdom); Bombardi, Alessandro; Senn, Mark [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire (United Kingdom)

    2015-07-01

    The recent observations of charge and stripe correlations in YBa{sub 2}Cu{sub 3}O{sub 6+x} and La{sub 2-x}Ba{sub x}CuO{sub 4} has reinvigorated interest in their role in influencing the superconductivity of the cuprates. However, structural complications of these systems makes it difficult to isolate the effect the lattice has in inducing the charge order. Here, we report hard X-ray diffraction measurements on three compositions (x=0.11,0.12,0.13) of the high-temperature superconductor La{sub 2-x}Sr{sub x}CuO{sub 4}, a canonical example of HTS with T{sub c} ∼ 35 K and a simple crystal structure. All samples show charge-density-wave (CDW) order with onset temperatures in the range 51-80 K and ordering wavevectors close to (0.23,0,0.5). We present a phase diagram of La{sub 2-x}Sr{sub x}CuO{sub 4} including the pseudogap phase, CDW and magnetic order.

  14. Enhanced density of negative fixed charges in Al2O3 layers on Si through a subsequent deposition of TiO2

    Science.gov (United States)

    Schneider, Thomas; Ziegler, Johannes; Kaufmann, Kai; Ilse, Klemens; Sprafke, Alexander; Wehrspohn, Ralf B.

    2016-04-01

    The passivation of silicon surfaces play an important role for achieving high-efficiency crystalline silicon solar cells. In this work, a stack system comprising of 20nm Al2O3 with a 22nm TiO2 topping layer was deposited on p-type Si using thermal atomic layer deposition (ALD) and was investigated regarding its passivation quality. Quasi-steady-state photo conductance (QSSPC) measurements reveal that the minority carrier lifetime at an injection density of 1015cm-3 increased from 1.10ms to 1.96ms after the deposition of TiO2, which shows that the deposition of TiO2 onto Al2O3 is capable of enhancing its passivation quality. Capacity voltage (CV) measurements show that the amount of negative charges in the dielectric layer has increased from -2.4·1012cm-2 to -6.3·1012cm-2 due to the deposition of TiO2. The location of the additional charges was analyzed in this work by etching the dielectric layer stack in several steps. After each step CV measurements were performed. It is found that the additional negative charges are created within the Al2O3 layer. Additionally, ToF-SIMS measurements were performed to check for diffusion processes within the Al2O3 layer.

  15. J/ψ production as a function of charged-particle pseudorapidity density in p–Pb collisions at sNN=5.02TeV

    Directory of Open Access Journals (Sweden)

    D. Adamová

    2018-01-01

    Full Text Available We report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dNch/dη in p–Pb collisions at sNN=5.02TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ψ yield with normalised dNch/dη, measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative yield is observed for high charged-particle multiplicities. The normalised average transverse momentum at forward and backward rapidities increases with multiplicity at low multiplicities and saturates beyond moderate multiplicities. In addition, the forward-to-backward nuclear modification factor ratio is also reported, showing an increasing suppression of J/ψ production at forward rapidity with respect to backward rapidity for increasing charged-particle multiplicity.

  16. Measurement of the forward charged particle pseudorapidity density in pp collisions at √(s) = 8 TeV using a displaced interaction point

    Energy Technology Data Exchange (ETDEWEB)

    Antchev, G. [Bulgarian Academy of Sciences, INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Aspell, P. [CERN, Geneva (Switzerland); Atanassov, I. [CERN, Geneva (Switzerland); Bulgarian Academy of Sciences, INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Avati, V. [CERN, Geneva (Switzerland); Baechler, J. [CERN, Geneva (Switzerland); Berardi, V. [INFN Sezione di Bari, Bari (Italy); Dipartimento Interateneo di Fisica di Bari, Bari (Italy); Berretti, M. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); CERN, Geneva (Switzerland); Bossini, E. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Bottigli, U. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Bozzo, M. [INFN Sezione di Genova, Genoa (Italy); Universita degli Studi di Genova, Genoa (Italy); Bruecken, E. [Helsinki Institute of Physics, Helsinki (Finland); University of Helsinki, Department of Physics, Helsinki (Finland); Buzzo, A. [INFN Sezione di Genova, Genoa (Italy); Cafagna, F.S. [INFN Sezione di Bari, Bari (Italy); Catanesi, M.G. [INFN Sezione di Bari, Bari (Italy); Covault, C. [Case Western Reserve University, Department of Physics, Cleveland, OH (United States); Csanad, M. [MTA Wigner Research Center, RMKI, Budapest (Hungary); Eoetvoes University, Department of Atomic Physics, Budapest (Hungary); Csoergo, T. [MTA Wigner Research Center, RMKI, Budapest (Hungary); Deile, M. [CERN, Geneva (Switzerland); Doubek, M. [Czech Technical University, Prague (Czech Republic); Eggert, K. [Case Western Reserve University, Department of Physics, Cleveland, OH (United States); Eremin, V. [Ioffe Physical-Technical Institute of Russian Academy of Sciences, St. Petersburg (Russian Federation); Ferro, F. [INFN Sezione di Genova, Genoa (Italy); Fiergolski, A. [INFN Sezione di Bari, Bari (Italy); Warsaw University of Technology, Warsaw (Poland); Garcia, F. [Helsinki Institute of Physics, Helsinki (Finland); Georgiev, V. [University of West Bohemia, Plzen (Czech Republic); Giani, S. [CERN, Geneva (Switzerland); Grzanka, L. [AGH University of Science and Technology, Krakow (Poland); Polish Academy of Science, Institute of Nuclear Physics, Krakow (Poland); Hammerbauer, J. [University of West Bohemia, Plzen (Czech Republic); Heino, J. [Helsinki Institute of Physics, Helsinki (Finland); Hilden, T. [Helsinki Institute of Physics, Helsinki (Finland); University of Helsinki, Department of Physics, Helsinki (Finland); Karev, A. [CERN, Geneva (Switzerland); Kaspar, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); CERN, Geneva (Switzerland); Kopal, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); CERN, Geneva (Switzerland); Kundrat, V. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); Lami, S. [INFN Sezione di Pisa, Pisa (Italy); Latino, G. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Lauhakangas, R. [Helsinki Institute of Physics, Helsinki (Finland); Leszko, T. [Warsaw University of Technology, Warsaw (Poland); Lippmaa, E. [National Institute of Chemical Physics and Biophysics NICPB, Tallinn (Estonia); Lippmaa, J. [National Institute of Chemical Physics and Biophysics NICPB, Tallinn (Estonia); Lokajicek, M.V. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); Losurdo, L. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Lo Vetere, M. [INFN Sezione di Genova, Genoa (IT); Universita degli Studi di Genova, Genoa (IT); Lucas Rodriguez, F. [CERN, Geneva (CH); Macri, M. [INFN Sezione di Genova, Genoa (IT); Maeki, T. [Helsinki Institute of Physics, Helsinki (FI); Mercadante, A. [INFN Sezione di Bari, Bari (IT); Minafra, N. [Dipartimento Interateneo di Fisica di Bari, Bari (IT); CERN, Geneva (CH); Minutoli, S. [INFN Sezione di Genova, Genoa (IT); Nemes, F. [MTA Wigner Research Center, RMKI, Budapest (HU); Eoetvoes University, Department of Atomic Physics, Budapest (HU); Niewiadomski, H. [CERN, Geneva (CH); Oliveri, E. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Oljemark, F. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Orava, R. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Oriunno, M. [SLAC National Accelerator Laboratory, Stanford, CA (US); Oesterberg, K. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Palazzi, P. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Peroutka, Z. [University of West Bohemia, Plzen (CZ); Prochazka, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (CZ); Quinto, M. [INFN Sezione di Bari, Bari (IT); Dipartimento Interateneo di Fisica di Bari, Bari (IT); Radermacher, E. [CERN, Geneva (CH); Radicioni, E. [INFN Sezione di Bari, Bari (IT); Ravotti, F. [CERN, Geneva (CH); Robutti, E. [INFN Sezione di Genova, Genoa (IT); Ropelewski, L. [CERN, Geneva (CH); Ruggiero, G. [CERN, Geneva (CH); Saarikko, H. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Scribano, A. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Smajek, J. [CERN, Geneva (CH); Snoeys, W. [CERN, Geneva (CH); Sodzawiczny, T. [CERN, Geneva (CH); Sziklai, J. [MTA Wigner Research Center, RMKI, Budapest (HU); Taylor, C. [Case Western Reserve University, Department of Physics, Cleveland, OH (US); Turini, N. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Vacek, V. [Czech Technical University, Prague (CZ); Welti, J. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Whitmore, J. [Penn State University, Department of Physics, University Park, PA (US); Wyszkowski, P. [AGH University of Science and Technology, Krakow (PL); Zielinski, K. [AGH University of Science and Technology, Krakow (PL); Collaboration: TOTEM Collaboration

    2015-03-01

    The pseudorapidity density of charged particles dN{sub ch}/dη is measured by the TOTEM experiment in proton-proton collisions at √(s) = 8 TeV within the range 3.9 < η < 4.7 and -6.95 < η < -6.9. Data were collected in a low intensity LHC run with collisions occurring at a distance of 11.25 m from the nominal interaction point. The data sample is expected to include 96-97 % of the inelastic proton-proton interactions. The measurement reported here considers charged particles with p{sub T} > 0 MeV/c, produced in inelastic interactions with at least one charged particle in -7 < η < -6 or 3.7 < η < 4.8. The dN{sub ch}/dη has been found to decrease with vertical stroke η vertical stroke, from 5.11 ± 0.73 at η = 3.95 to 1.81 ± 0.56 at η = -6.925. Several Monte Carlo generators are compared to the data and are found to be within the systematic uncertainty of the measurement. (orig.)

  17. Chiral Spin-Density Wave, Spin-Charge-Chern Liquid, and d+id Superconductivity in 1/4-Doped Correlated Electronic Systems on the Honeycomb Lattice

    Directory of Open Access Journals (Sweden)

    Shenghan Jiang

    2014-09-01

    Full Text Available Recently, two interesting candidate quantum phases—the chiral spin-density wave state featuring anomalous quantum Hall effect and the d+id superconductor—were proposed for the Hubbard model on the honeycomb lattice at 1/4 doping. Using a combination of exact diagonalization, density matrix renormalization group, the variational Monte Carlo method, and quantum field theories, we study the quantum phase diagrams of both the Hubbard model and the t-J model on the honeycomb lattice at 1/4 doping. The main advantage of our approach is the use of symmetry quantum numbers of ground-state wave functions on finite-size systems (up to 32 sites to sharply distinguish different quantum phases. Our results show that for 1≲U/t<40 in the Hubbard model and for 0.1density wave state or a spin-charge-Chern liquid, but not a d+id superconductor. However, in the t-J model, upon increasing J, the system goes through a first-order phase transition at J/t=0.80(2 into the d+id superconductor. Here, the spin-charge-Chern liquid state is a new type of topologically ordered quantum phase with Abelian anyons and fractionalized excitations. Experimental signatures of these quantum phases, such as tunneling conductance, are calculated. These results are discussed in the context of 1/4-doped graphene systems and other correlated electronic materials on the honeycomb lattice.

  18. Measurement of radial profiles of density ratio of helium to hydrogen ion using charge exchange spectroscopy with two-wavelength spectrometer.

    Science.gov (United States)

    Ida, K; Yoshinuma, M; Wieland, B; Goto, M; Nakamura, Y; Kobayashi, M; Murakami, I; Moon, C

    2015-12-01

    Radial profiles of density ratio of helium to hydrogen ions are measured using the charge exchange spectroscopy technique with the two-wavelength spectrometer system in the large helical device. The two-wavelength spectrometer system consists of a dichroic mirror box, a spectrometer with two grating and two camera lenses, and one CCD detector. The dichroic mirror box is used to divide the light of one fiber from the plasma to two fibers, one for HeII (λ = 468.6 nm) and the other for H(α) (λ = 656.3 nm), that are connected to the entrance slit of the spectrometer to eliminate the interference between the HeII and the H(α) spectra on the CCD. This system provides a simultaneous measurement of helium and hydrogen ion density ratio at 8 exact same locations (8 spatial channels) with a time resolution of >40 ms in the wide range of the density ratio of 0.05-5.

  19. Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set.

    Science.gov (United States)

    Oberhofer, Harald; Blumberger, Jochen

    2010-12-28

    We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q(-)) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ()(1/2)=6.7 mH, is significantly higher than the value obtained for the minimum energy structure, |H(ab)|=3.8 mH. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q(-) in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

  20. Dopant selection for control of charge carrier density and mobility in amorphous indium oxide thin-film transistors: Comparison between Si- and W-dopants

    Energy Technology Data Exchange (ETDEWEB)

    Mitoma, Nobuhiko, E-mail: MITOMA.Nobuhiko@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Kizu, Takio; Lin, Meng-Fang; Tsukagoshi, Kazuhito, E-mail: MITOMA.Nobuhiko@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044 (Japan); Aikawa, Shinya [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044 (Japan); Research Institute for Science and Technology, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Ou-Yang, Wei [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044 (Japan); Department of Physics, Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China); Gao, Xu [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044 (Japan); Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Institute of Functional Nano and Soft Materials (FUNSOM), Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215123 (China); Fujiwara, Akihiko [Research and Utilization Division, Japan Synchrotron Radiation Research Institute/SPring-8, Sayo, Hyogo 679-5198 (Japan); Nabatame, Toshihide [MANA Foundry and MANA Advanced Device Materials Group, National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044 (Japan)

    2015-01-26

    The dependence of oxygen vacancy suppression on dopant species in amorphous indium oxide (a-InO{sub x}) thin film transistors (TFTs) is reported. In a-InO{sub x} TFTs incorporating equivalent atom densities of Si- and W-dopants, absorption of oxygen in the host a-InO{sub x} matrix was found to depend on difference of Gibbs free energy of the dopants for oxidation. For fully oxidized films, the extracted channel conductivity was higher in the a-InO{sub x} TFTs containing dopants of small ionic radius. This can be explained by a reduction in the ionic scattering cross sectional area caused by charge screening effects.

  1. Extraction of sub-gap density of states via capacitance-voltage measurement for the erasing process in a TFT charge-trapping memory

    Science.gov (United States)

    Chiang, Yen-Chang; Hsiao, Yang-Hsuan; Li, Jeng-Ting; Chen, Jen-Sue

    2018-02-01

    Charge-trapping memories (CTMs) based on zinc tin oxide (ZTO) semiconductor thin-film transistors (TFTs) can be programmed by a positive gate voltage and erased by a negative gate voltage in conjunction with light illumination. To understand the mechanism involved, the sub-gap density of states associated with ionized oxygen vacancies in the ZTO active layer is extracted from optical response capacitance-voltage (C-V) measurements. The corresponding energy states of ionized oxygen vacancies are observed below the conduction band minimum at approximately 0.5-1.0 eV. From a comparison of the fitted oxygen vacancy concentration in the CTM-TFT after the light-bias erasing operation, it is found that the pristine-erased device contains more oxygen vacancies than the program-erased device because the trapped electrons in the programmed device are pulled into the active layer and neutralized by the oxygen vacancies that are present there.

  2. Evolution of coherent collective modes through consecutive charge-density-wave transitions in the (PO2)4(WO3)12 monophosphate tungsten bronze

    Science.gov (United States)

    Stojchevska, L.; Borovšak, M.; Foury-Leylekian, P.; Pouget, J.-P.; Mertelj, T.; Mihailovic, D.

    2017-07-01

    All-optical femtosecond relaxation dynamics in a single crystal of monophosphate tungsten bronze (PO2)4(WO3)2m with alternate stacking m =6 of WO3 layers was studied through the three consequent charge-density-wave (CDW) transitions. Several transient coherent collective modes associated with the different CDW transitions were observed and analyzed in the framework of the time-dependent Ginzburg-Landau theory. Remarkably, the interference of the modes leads to an apparent rectification effect in the transient reflectivity response. A saturation of the coherent-mode amplitudes with increasing pump fluence well below the CDWs destruction threshold fluence indicates a decoupling of the electronic and lattice parts of the order parameter on the femtosecond timescale.

  3. Electroactive and High Dielectric Folic Acid/PVDF Composite Film Rooted Simplistic Organic Photovoltaic Self-Charging Energy Storage Cell with Superior Energy Density and Storage Capability.

    Science.gov (United States)

    Roy, Swagata; Thakur, Pradip; Hoque, Nur Amin; Bagchi, Biswajoy; Sepay, Nayim; Khatun, Farha; Kool, Arpan; Das, Sukhen

    2017-07-19

    Herein we report a simplistic prototype approach to develop an organic photovoltaic self-charging energy storage cell (OPSESC) rooted with biopolymer folic acid (FA) modified high dielectric and electroactive β crystal enriched poly(vinylidene fluoride) (PVDF) composite (PFA) thin film. Comprehensive and exhaustive characterizations of the synthesized PFA composite films validate the proper formation of β-polymorphs in PVDF. Significant improvements of both β-phase crystallization (F(β) ≈ 71.4%) and dielectric constant (ε ≈ 218 at 20 Hz for PFA of 7.5 mass %) are the twosome realizations of our current study. Enhancement of β-phase nucleation in the composites can be thought as a contribution of the strong interaction of the FA particles with the PVDF chains. Maxwell-Wagner-Sillars (MWS) interfacial polarization approves the establishment of thermally stable high dielectric values measured over a wide temperature spectrum. The optimized high dielectric and electroactive films are further employed as an active energy storage material in designing our device named as OPSESC. Self-charging under visible light irradiation without an external biasing electrical field and simultaneous remarkable self-storage of photogenerated electrical energy are the two foremost aptitudes and the spotlight of our present investigation. Our as fabricated device delivers an impressively high energy density of 7.84 mWh/g and an excellent specific capacitance of 61 F/g which is superior relative to the other photon induced two electrode organic self-charging energy storage devices reported so far. Our device also proves the realistic utility with good recycling capability by facilitating commercially available light emitting diode.

  4. Measurement of the forward charged particle pseudorapidity density in $pp$ collisions at $\\sqrt{s} = 7$ TeV with the TOTEM experiment.

    CERN Document Server

    Berretti, Mirko; Scribano, Angelo

    The TOTEM experiment at the LHC is dedicated to the precise measurement of the total $pp$ cross section, to the study of the elastic scattering and of the diffractive interactions. The TOTEM T2 telescope, composed of triple GEM chambers, provides the tracking of the charged particles produced by the inelastic $pp$ interactions in the pseudorapidity range 5.3$<$$|\\eta|$$<$6.5. In this thesis the offline procedures developed for the event reconstruction in the T2 telescope are reported. They include the tuning of the detector simulation, the track reconstruction algorithm and their characterisation in terms of physics performance. The detector alignment algorithms are also described and the uncertainties on the misalignment parameters are quantified. The thesis is then focused on the measurement of the charged particle pseudorapidity density ($dN_{ch}/d\\eta$) obtained in T2 for inelastic $pp$ collisions at $\\sqrt{s}=$ 7 TeV. This extends the analogous measurement performed by the other LHC experiments to...

  5. Measurement of the forward charged particle pseudorapidity density in pp collisions at $\\sqrt{s}$ = 7 TeV with the TOTEM experiment

    CERN Document Server

    Antchev, G; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bozzo, M.; Brogi, P.; Brucken, E.; Buzzo, A.; Cafagna, F.S.; Calicchio, M.; Catanesi, M.G.; Covault, C.; Csanad, M.; Csorgo, T.; Deile, M.; Eggert, K.; Eremin, V.; Ferretti, R.; Ferro, F.; Fiergolski, A.; Garcia, F.; Giani, S.; Greco, V.; Grzanka, L.; Heino, J.; Hilden, T.; Intonti, M.R.; Kaspar, J.; Kopal, J.; Kundrat, V.; Kurvinen, K.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lokajicek, M.; Lo Vetere, M.; Lucas Rodriguez, F.; Macri, M.; Magaletti, L.; Maki, T.; Mercadante, A.; Minafra, N.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Osterberg, K.; Palazzi, P.; Prochazka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Santroni, A.; Scribano, A.; Snoeys, W.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Vitek, M.; Welti, J.; Whitmore, J.; Aspell, P

    2012-01-01

    The TOTEM experiment has measured the charged particle pseudorapidity density dN$_{ch}$/d$\\eta$ in pp collisions at $\\sqrt{s}$ = 7 TeV for 5.3<|$\\eta$|<6.4 in events with at least one charged particle with transverse momentum above 40 MeV/c in this pseudorapidity range. This extends the analogous measurement performed by the other LHC experiments to the previously unexplored forward $\\eta$ region. The measurement refers to more than 99% of non-diffractive processes and to single and double diffractive processes with diffractive masses above ~3.4 GeV/c$^2$, corresponding to about 95% of the total inelastic cross-section. The dN$_{ch}$/d$\\eta$ has been found to decrease with |$\\eta$|, from 3.84 $\\pm$ 0.01(stat) $\\pm$ 0.37(syst) at |$\\eta$| = 5.375 to 2.38 $\\pm$ 0.01(stat) $\\pm$ 0.21(syst) at |$\\eta$| = 6.375. Several MC generators have been compared to data; none of them has been found to fully describe the measurement.

  6. Impact of the charge density wave state in the electrodynamic response of ZrTe3 -xSex : Optical evidence for a pseudogap phase

    Science.gov (United States)

    Chinotti, M.; Ethiraj, J.; Mirri, C.; Zhu, Xiangde; Li, Lijun; Petrovic, C.; Degiorgi, L.

    2018-01-01

    The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe3 -xSex at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, which images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.

  7. On the possibility of gamma-laser pumping occurring at a charged particle counter motion and in density-modulated electron beams by a high frequency intensive radiation

    International Nuclear Information System (INIS)

    Maksyuta, N.V.

    1999-01-01

    The given report deals with the problem of motion and radiation of relativistic electron in a field of opposite plane density-modulated relativistic electron beam. Physical essence of high-frequency intensive radiation origin could be explained, first by the additional Lorentz reduction of the electron beam modulation period (modulation period Λ in a laboratory co-ordinate system reduces by a factor γ as compared with the modulation period in a beam co-ordinate system) and, secondly, a simultaneous γ-fold increase of transverse components of relativistic electrons of the beam electric and magnetic fields. Such a moving modulated electron beam can be regarded as a dynamic micro-ondulator. Unlike static micro-ondulators we can observe here one more positive moment along with a small period Λ = Λ'/γ, i.e. the electric and magnetic fields in a transverse direction are changed according to the law of exp(-2πx/Λ'). It means that charged particle interaction with a dynamic micro-ondulator will be effective in a wide range of transverse distances, i.e., to get an intensive short wave radiation one can use charged particle beams with rather large apertures which leads to an additional radiation intensity increase. A discussion is given showing that the proposed dynamic modulator possesses some essential merits. A detailed calculation is presented. (author)

  8. First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

    Science.gov (United States)

    Guster, Bogdan; Canadell, Enric; Pruneda, Miguel; Ordejón, Pablo

    2018-04-01

    We present a density functional theory study of the electronic structure of single-layer TiSe2, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the 2× 2 periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. This can be understood in terms of a partial band gap opening at the Fermi level, which we describe on the basis of the symmetry of the involved crystal orbitals, leading to an energy gain upon the displacement of the atoms following the phonon mode in a 2  ×  1 structure. Furthermore, the combination of the corresponding phonons for the three inequivalent M points of the Brillouin zone leads to the 2  ×  2 distortion characteristic of the CDW state. This leads to a further opening of a full gap, which reduces the energy of the 2  ×  2 structure compared to the 2  ×  1 one of a single M point phonon, and makes the CDW structure the most stable one. We also analyze the effect of charge injection into the layer on the structural instability. We predict that the 2  ×  2 structure only survives for a certain range of doping levels, both for electrons and for holes, as doping reduces the energy gain due to the gap opening. We predict the transition from the commensurate 2  ×  2 distortion to an incommensurate one with increasing wavelength upon increasing the doping level, followed by the appearance of the undistorted 1  ×  1 structure for larger carrier concentrations.

  9. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.

    Science.gov (United States)

    Pal, Rumpa; Reddy, M B Madhusudana; Dinesh, B; Venkatesha, Manjunath A; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N

    2018-04-12

    A comparative study of syn vs anti carboxylic acids in hybrid peptides based on experimental electron density studies and theoretical calculations shows that, in the anti form, all three bond angles surrounding C carboxyl of the -COOH group are close to ∼120°, as expected for a C-sp 2 atom, whereas in the syn form, the ∠C α -C(O)-O hydroxyl angle is significantly smaller by 5-10°. The oxygen atom in the carboxyl group is more electronegative in the anti form, so the polarity of the acidic O-H bond is higher in the anti form compared to the syn form, as observed within the limitations of H atom treatment in X-ray diffraction. Consequently, the investigated anti carboxylic acid forms the strongest O-H···O hydrogen bond among all model compounds. Furthermore, according to natural bond orbital analysis, the oxygen lone pairs are clearly nonequivalent, as opposed to the general notion of hybridization of equivalent sp 2 and sp 3 lone pairs on carbonyl or hydroxyl oxygen atoms. The hybridization of the lone pairs is directly related to the directionality and strength of hydrogen bonds.

  10. Photoemission study of the electronic structure and charge density waves of Na2Ti2Sb2O.

    Science.gov (United States)

    Tan, S Y; Jiang, J; Ye, Z R; Niu, X H; Song, Y; Zhang, C L; Dai, P C; Xie, B P; Lai, X C; Feng, D L

    2015-04-30

    The electronic structure of Na2Ti2Sb2O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na2Ti2Sb2O in the non-magnetic state, which indicates that there is no magnetic order in Na2Ti2Sb2O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na2Ti2Sb2O. Photon energy dependent ARPES results suggest that the electronic structure of Na2Ti2Sb2O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV at 7 K, indicating that Na2Ti2Sb2O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime.

  11. Strain Engineering a 4a×√3aCharge Density Wave Phase in Transition Metal Dichalcogenide 1T-VSe2.

    Science.gov (United States)

    Zhang, Duming; Ha, Jeonghoon; Baek, Hongwoo; Chan, Yang-Hao; Natterer, Fabian D; Myers, Alline F; Schumacher, Joshua D; Cullen, William G; Davydov, Albert V; Kuk, Young; Chou, M Y; Zhitenev, Nikolai B; Stroscio, Joseph A

    2017-07-01

    We report a rectangular charge density wave (CDW) phase in strained 1T-VSe 2 thin films synthesized by molecular beam epitaxy on c -sapphire substrates. The observed CDW structure exhibits an unconventional rectangular 4 a ×√3 a periodicity, as opposed to the previously reported hexagonal 4 a ×4 a structure in bulk crystals and exfoliated thin layered samples. Tunneling spectroscopy shows a strong modulation of the local density of states of the same 4 a ×√3 a CDW periodicity and an energy gap of 2 Δ CDW = (9.1 ± 0.1) meV. The CDW energy gap evolves into a full gap at temperatures below 500 mK, indicating a transition to an insulating phase at ultra-low temperatures. First-principles calculations confirm the stability of both 4 a ×4 a and 4 a ×√3 a structures arising from soft modes in the phonon dispersion. The unconventional structure becomes preferred in the presence of strain, in agreement with experimental findings.

  12. Strain engineering a 4 a ×√ 3 a charge-density-wave phase in transition-metal dichalcogenide 1 T -VS e2

    Science.gov (United States)

    Zhang, Duming; Ha, Jeonghoon; Baek, Hongwoo; Chan, Yang-Hao; Natterer, Fabian D.; Myers, Alline F.; Schumacher, Joshua D.; Cullen, William G.; Davydov, Albert V.; Kuk, Young; Chou, M. Y.; Zhitenev, Nikolai B.; Stroscio, Joseph A.

    2017-07-01

    We report a rectangular charge density wave (CDW) phase in strained 1 T -VS e2 thin films synthesized by molecular beam epitaxy on c -sapphire substrates. The observed CDW structure exhibits an unconventional rectangular 4 a ×√ 3 a periodicity, as opposed to the previously reported hexagonal 4 a ×4 a structure in bulk crystals and exfoliated thin-layered samples. Tunneling spectroscopy shows a strong modulation of the local density of states of the same 4 a ×√ 3 a CDW periodicity and an energy gap of 2 ΔCDW=(9.1 ±0.1 ) meV . The CDW energy gap evolves into a full gap at temperatures below 500 mK, indicating a transition to an insulating phase at ultra-low temperatures. First-principles calculations confirm the stability of both 4 a ×4 a and 4 a ×√ 3 a structures arising from soft modes in the phonon dispersion. The unconventional structure becomes preferred in the presence of strain, in agreement with experimental findings.

  13. Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results

    Directory of Open Access Journals (Sweden)

    B. Hribar-Lee

    2013-01-01

    Full Text Available Very recently the effect of equisized charged hard sphere solutes in a mixture with core-softened fluid model on the structural and thermodynamic anomalies of the system has been explored in detail by using Monte Carlo simulations and integral equations theory (J. Chem. Phys., Vol. 137, 244502 (2012. Our objective of the present short work is to complement this study by considering univalent ions of unequal diameters in a mixture with the same soft-core fluid model. Specifically, we are interested in the analysis of changes of the temperature of maximum density (TMD lines with ion concentration for three model salt solutes, namely sodium chloride, potassium chloride and rubidium chloride models. We resort to Monte Carlo simulations for this purpose. Our discussion also involves the dependences of the pair contribution to excess entropy and of constant volume heat capacity on the temperature of maximum density line. Some examples of the microscopic structure of mixtures in question in terms of pair distributions functions are given in addition.

  14. Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

    Science.gov (United States)

    Verma, Pragya; Truhlar, Donald G

    2017-05-24

    Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. In this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree-Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39

  15. Centrality dependence of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Aamodt, Kenneth; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agocs, Andras Gabor; Aguilar Salazar, Saul; Ahammed, Zubayer; Ahmad, Nazeer; Ahmad Masoodi, A; Ahn, Sang Un; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Almaraz Avina, Erick Jonathan; Alt, Torsten; Altini, Valerio; Altinpinar, Sedat; Altsybeev, Igor; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anson, Christopher Daniel; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshauser, Harald; Arbor, Nicolas; Arcelli, Silvia; Arend, Andreas; Armesto, Nestor; Arnaldi, Roberta; Aronsson, Tomas Robert; Arsene, Ionut Cristian; Asryan, Andzhey; Augustinus, Andre; Averbeck, Ralf Peter; Awes, Terry; Aysto, Juha Heikki; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bagnasco, S; Bailhache, Raphaelle Marie; Bala, Renu; Baldini Ferroli, Rinaldo; Baldisseri, Alberto; Baldit, Alain; Ban, Jaroslav; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Barret, Valerie; Bartke, Jerzy Gustaw; Basile, Maurizio; Bastid, Nicole; Bathen, Bastian; Batigne, Guillaume; Batyunya, Boris; Baumann, Christoph Heinrich; Bearden, Ian Gardner; Beck, Hans; Belikov, Iouri; Bellini, Francesca; Bellwied, Rene; Belmont-Moreno, Ernesto; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdermann, Eleni; Berdnikov, Yaroslav; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Biolcati, Emanuele; Blanc, Aurelien Joseph; Blanco, F; Blanco, F; Blau, Dmitry; Blume, Christoph; Boccioli, Marco; Bock, Nicolas; Bogdanov, Alexey; Boggild, Hans; Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Bombonati, Carlo; Book, Julian; Borel, Herve; Bortolin, Claudio; Bose, Suvendu Nath; Bossu, Francesco; Botje, Michiel; Bottger, Stefan; Boyer, Bruno Alexandre; Braun-Munzinger, Peter; Bravina, Larisa; Bregant, Marco; Breitner, Timo Gunther; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Busch, Oliver; Buthelezi, Edith Zinhle; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Francesco; Carena, Wisla; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Caselle, Michele; Castillo Castellanos, Javier Ernesto; Catanescu, Vasile; Cavicchioli, Costanza; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Sukalyan; Chattopadhyay, Subhasis; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chiavassa, Emilio; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Coccetti, Fabrizio; Coffin, Jean-Pierre Michel; Coli, S; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Constantin, Paul; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cuautle, Eleazar; Cunqueiro, Leticia; D'Erasmo, Ginevra; Dainese, Andrea; Dalsgaard, Hans Hjersing; Danu, Andrea; Das, Debasish; Das, Indranil; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; De Azevedo Moregula, Andrea; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; De Remigis, R; de Rooij, Raoul Stefan; Delagrange, Hugues; Delgado Mercado, Ydalia; Dellacasa, Giuseppe; Deloff, Andrzej; Demanov, Vyacheslav; Denes, Ervin; Deppman, Airton; Di Bari, Domenico; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Dietel, Thomas; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Dominguez, Isabel; Donigus, Benjamin; Dordic, Olja; Dryha, Olha; Dubey, Anand Kumar; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, AK; Dutta Majumdar, Mihir Ranjan; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erdal, Hege Austrheim; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Evrard, Sebastien; Eyyubova, Gyulnara; Fabjan, Christian; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fearick, Roger Worsley; Fedunov, Anatoly; Fehlker, Dominik; Fekete, Vladimir; Felea, Daniel; Feofilov, Grigory; Fernandez Tellez, Arturo; Ferretti, Alessandro; Ferretti, Roberta; Figueredo, Marcel; Filchagin, Sergey; Fini, Rosa Anna; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Fragkiadakis, Michail; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furano, Fabrizio; Furget, Christophe; Fusco Girard, Mario; Gaardhoje, Jens Joergen; Gadrat, Sebastien Gabriel; Gagliardi, Martino; Gago, Alberto; Gallio, Mauro; Ganoti, Paraskevi; Garabatos, Jose; Gemme, Roberto; Gerhard, Jochen; Germain, Marie; Geuna, Claudio; Gheata, Andrei George; Gheata, Mihaela; Ghidini, Bruno; Ghosh, Premomoy; Girard, Martin Robert; Giraudo, G; Giubellino, Paolo; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez, Ramon; Gonzalez Santos, Humberto; Gonzalez-Trueba, Laura Helena; Gonzalez-Zamora, Pedro; Gorbunov, Sergey; Gotovac, Sven; Grabski, Varlen; Grajcarek, Robert; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoriev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grinyov, Boris; Grion, Nevio; Gros, Philippe; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerra Gutierrez, Cesar; Guerzoni, Barbara; Gulbrandsen, Kristjan Herlache; Gulkanyan, Hrant; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Gutbrod, Hans; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Harris, John William; Hartig, Matthias; Hasch, Delia; Hasegan, Dumitru; Hatzifotiadou, Despoina; Hayrapetyan, Arsen; Heide, Markus Ansgar; Heinz, Mark Thomas; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Hernandez, C; Herrera Corral, Gerardo Antonio; Herrmann, Norbert; Hetland, Kristin Fanebust; Hicks, Bernard; Hille, Per Thomas; Hippolyte, Boris; Horaguchi, Takuma; Hori, Yasuto; Hristov, Peter Zahariev; Hrivnacova, Ivana; Huang, Meidana; Huber, Sebastian Bernd; Humanic, Thomas; Hwang, Dae Sung; Ichou, Raphaelle; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Incani, Elisa; Innocenti, Gian Michele; Innocenti, Pier Giorgio; Ippolitov, Mikhail; Irfan, Muhammad; Ivan, Cristian George; Ivanov, Andrey; Ivanov, Marian; Ivanov, Vladimir; Jacholkowski, Adam Wlodzimierz; Jacobs, Peter; Jancurova, Lucia; Jangal, Swensy Gwladys; Janik, Rudolf; Jayarathna, S P; Jena, Satyajit; Jirden, Lennart; Jones, Goronwy Tudor; Jones, Peter Graham; Jovanovic, P.; Jung, Hyung Taik; Jung, Won Woong; Jusko, Anton; Kalcher, Sebastian; Kalinak, Peter; Kalisky, Matus; Kalliokoski, Tuomo Esa Aukusti; Kalweit, Alexander Philipp; Kamermans, Rene; Kanaki, Kalliopi; Kang, Eunggil; Kang, Ju Hwan; Kaplin, Vladimir; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kazantsev, Andrey; Kebschull, Udo Wolfgang; Keidel, Ralf; Khan, Mohisin Mohammed; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Dong Jo; Kim, Dong Soo; Kim, Do Won; Kim, Hyang Nam; Kim, Jonghyun; Kim, Jin Sook; Kim, Mimae; Kim, Minwoo; Kim, Se Yong; Kim, Seon Hee; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kliemant, Michael; Klovning, Arne; Kluge, Alexander; Knichel, Michael Linus; Koch, Kathrin; Kohler, Markus; Kolevatov, Rodion; Kolojvari, Anatoly; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Kornas, Ewelina; Kottachchi Kankanamge Don, Chamath; Kour, Ravjeet; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kozlov, Konstantin; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kraus, Ingrid Christine; Krawutschke, Tobias; Kretz, Matthias; Krivda, Marian; Krumbhorn, Dirk Uwe Wilhelm; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucheriaev, Yury; Kuhn, Christian Claude; Kuijer, Paul; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Svetlana; Kushpil, Vasily; Kweon, Min Jung; Kwon, Youngil; La Rocca, Paola; Ladron de Guevara, Pedro; Lafage, Vincent Claude; Lara, Camilo Ernesto; Larsen, Dag Toppe; Lazzeroni, Cristina; Le Bornec, Yves; Lea, Ramona; Lee, Ki Sang; Lee, Sung Chul; Lefevre, Frederic; Lehnert, Joerg Walter; Leistam, Lars; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Levai, Peter; Li, Xiaomei; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Liu, Lijiao; Loggins, Vera; Loginov, Vitaly; Lohn, Stefan Bernhard; Lohner, Daniel; Loizides, C; Lopez, Xavier Bernard; Lopez Noriega, Mercedes; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luparello, Grazia; Luquin, Lionel; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Mal'Kevich, Dmitry; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Mangotra, Lalit Kumar; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Martashvili, Irakli; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Davalos, Arnulfo; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastromarco, Mario; Mastroserio, Annalisa; Matthews, Zoe Louise; Matyja, Adam Tomasz; Mayani, Daniel; Mazza, G; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mendez Lorenzo, Patricia; Mercado Perez, Jorge; Mereu, P; Miake, Yasuo; Midori, Jumpei; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Monteno, Marco; Montes, Esther; Morando, Maurizio; Moreira De Godoy, Denise Aparecida; Moretto, Sandra; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhuri, Sanjib; Muller, Hans; Munhoz, Marcelo; Munoz, Jose Lorenzo; Musa, Luciano; Musso, Alfredo; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Nattrass, Christine; Navach, Franco; Navin, Sparsh; Nayak, Tapan Kumar; Nazarenko, Sergey; Nazarov, Gleb; Nedosekin, Alexander; Nendaz, Fabien; Newby, Jason Robert; Nicassio, Maria; Nielsen, Borge Svane; Nikolaev, Sergey; Nikolic, Vedran; Nikulin, Sergey; Nikulin, Vladimir; Nilsen, Bjorn Steven; Nilsson, Mads Stormo; Noferini, Francesco; Nooren, Gerardus; Novitzky, Norbert; Nyanin, Alexandre; Nyatha, Anitha; Nygaard, Casper; Nystrand, Joakim Ingemar; Obayashi, Hideyuki; Ochirov, Alexander; Oeschler, Helmut Oskar; Oh, Sun Kun; Oleniacz, Janusz; Oppedisano, Chiara; Ortiz Velasquez, Antonio; Ortona, Giacomo; Oskarsson, Anders Nils Erik; Ostrowski, Piotr Krystian; Otterlund, Ingvar; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozawa, Kyoichiro; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, S; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Pappalardo, Giuseppe; Park, Woo Jin; Paticchio, Vincenzo; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perini, Diego; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Peskov, Vladimir; Pestov, Yury; Peters, Andreas Joachim; Petracek, Vojtech; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Piccotti, Anna; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piuz, Francois; Piyarathna, Danthasinghe; Platt, Richard John; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pocheptsov, Timur; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polak, Karel; Polichtchouk, Boris; Pop, Amalia; Pospisil, Vladimir; Potukuchi, Baba; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puddu, Giovanna; Pulvirenti, Alberto; Punin, Valery; Putis, Marian; Putschke, Jorn Henning; Quercigh, Emanuele; Qvigstad, Henrik; Rachevski, Alexandre; Rademakers, Alphonse; Rademakers, Ornella; Radomski, Sylwester; Raiha, Tomi Samuli; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Ramirez Reyes, Abdiel; Rammler, Markus; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Read, Kenneth Francis; Real, Jean-Sebastien; Redlich, Krzysztof; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Rettig, Felix Vincenz; Revol, Jean-Pierre; Reygers, Klaus Johannes; Ricaud, Helene; Riccati, Lodovico; Ricci, Renato Angelo; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Rivetti, A; Rodriguez Cahuantzi, Mario; Rohr, David; Rohrich, Dieter; Romita, Rosa; Ronchetti, Federico; Rosinsky, Peter; Rosnet, Philippe; Rossegger, Stefan; Rossi, Andrea; Roukoutakis, Filimon; Rousseau, Sylvain Jean Henry; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Rusanov, Ivan Rusalinov; Ryabinkin, Evgeny; Rybicki, Andrzej; Sadovsky, Sergey; Safarik, Karel; Sahoo, Raghunath; Sahu, Pradip Kumar; Saiz, Pablo; Sakai, Shingo; Sakata, Dosatsu; Salgado, Carlos Albert; Samanta, Tapas; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sano, Satoshi; Santo, Rainer; Santoro, Romualdo; Sarkamo, Juho Jaako; Saturnini, Pierre; Scapparone, Eugenio; Scarlassara, Fernando; Scharenberg, Rolf Paul; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schreiner, Steffen; Schuchmann, Simone; Schukraft, Jurgen; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Patrick Aaron; Scott, Rebecca; Segato, Gianfranco; Senyukov, Serhiy; Seo, Jeewon; Serci, Sergio; Serradilla, Eulogio; Sevcenco, Adrian; Shabratova, Galina; Shahoyan, Ruben; Sharma, Natasha; Sharma, Satish; Shigaki, Kenta; Shimomura, Maya; Shtejer, Katherin; Sibiriak, Yury; Siciliano, Melinda; Sicking, Eva; Siemiarczuk, Teodor; Silenzi, Alessandro; Silvermyr, David Olle Rickard; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Sinha, Bikash; Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Skjerdal, Kyrre; Smakal, Radek; Smirnov, Nikolai; Snellings, Raimond; Sogaard, Carsten; Soloviev, Andrey; Soltz, Ron Ariel; Son, Hyungsuk; Song, Myunggeun; Soos, Csaba; Soramel, Francesca; Spyropoulou-Stassinaki, Martha; Srivastava, Brijesh Kumar; Stachel, Johanna; Stan, Emil; Stefanek, Grzegorz; Stefanini, Giorgio; Steinbeck, Timm Morten; Stenlund, Evert Anders; Steyn, Gideon Francois; Stocco, Diego; Stock, Reinhard; Stolpovskiy, Mikhail; Strmen, Peter; Suaide, Alexandre Alarcon do Passo; Subieta Vasquez, Martin Alfonso; Sugitate, Toru; Suire, Christophe Pierre; Sumbera, Michal; Susa, Tatjana; Swoboda, Detlef; Symons, Timothy; Szanto de Toledo, Alejandro; Szarka, Imrich; Szostak, Artur Krzysztof; Tagridis, Christos; Takahashi, Jun; Tapia Takaki, Daniel Jesus; Tauro, Arturo; Tavlet, Marc; Tejeda Munoz, Guillermo; Telesca, Adriana; Terrevoli, Cristina; Thader, Jochen Mathias; Thomas, Deepa; Thomas, Jim; Tieulent, Raphael Noel; Timmins, Anthony; Tlusty, David; Toia, Alberica; Torii, Hisayuki; Toscano, Luca; Tosello, Flavio; Traczyk, Tomasz; Truesdale, David Christopher; Trzaska, Wladyslaw Henryk; Tumkin, Alexandr; Turrisi, Rosario; Turvey, Andrew John; Tveter, Trine Spedstad; Ulery, Jason Glyndwr; Ullaland, Kjetil; Uras, Antonio; Urban, Jozef; Urciuoli, Guido Marie; Usai, Gianluca; Vacchi, A; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; van der Kolk, Naomi; van Leeuwen, Marco; Vande Vyvre, Pierre; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Vikhlyantsev, Oleg; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Alexander; Vinogradov, Leonid; Vinogradov, Yury; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; von Haller, Barthelemy; Vranic, Danilo; Øvrebekk, G; Vrlakova, Janka; Vulpescu, Bogdan; Wagner, Boris; Wagner, Vladimir; Wan, Renzhuo; Wang, Dong; Wang, Yifei; Wang, Yaping; Watanabe, Kengo; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Alexander; Wilk, Grzegorz Andrzej; Williams, Crispin; Windelband, Bernd Stefan; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yokoyama, Hiroki; Yoo, In-Kwon; Yuan, Xianbao; Yushmanov, Igor; Zabrodin, Evgeny; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zenin, Anton; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Xiaoming; Zhou, Daicui; Zhu, Xiangrong; Zichichi, Antonino; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo

    2011-01-01

    The centrality dependence of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor 2 from peripheral (70-80%) to central (0-5%) collisions. The centrality dependence is found to be similar to that observed at lower collision energies. The data are compared with models based on different mechanisms for particle production in nuclear collisions.

  16. Mellitate: A multivalent anion with extreme charge density causes rapid aggregation and misfolding of wild type lysozyme at neutral pH.

    Directory of Open Access Journals (Sweden)

    Grzegorz Ścibisz

    Full Text Available Due to its symmetric structure and abundance of carboxyl groups, mellitic acid (MA-benzenehexacarboxylic acid has an uncommon capacity to form highly ordered molecular networks. Dissolved in water, MA dissociates to yield various mellitate anions with pronounced tendencies to form complexes with cations including protonated amines. Deprotonation of MA at physiological pH produces anions with high charge densities (MA5- and MA6- whose influence on co-dissolved proteins has not been thoroughly studied. As electrostatic attraction between highly symmetric MA6- anions and positively charged low-symmetry globular proteins could lead to interesting self-assembly patterns we have chosen hen egg white lysozyme (HEWL, a basic stably folded globular protein as a cationic partner for mellitate anions to form such hypothetical nanostructures. Indeed, mixing of neutral HEWL and MA solutions does result in precipitation of electrostatic complexes with the stoichiometry dependent on pH. We have studied the self-assembly of HEWL-MA structures using vibrational spectroscopy (infrared absorption and Raman scattering, circular dichroism (CD, atomic force microscopy (AFM. Possible HEWL-MA6- molecular docking scenarios were analyzed using computational tools. Our results indicate that even at equimolar ratios (in respect to HEWL, MA5- and MA6- anions are capable of inducing misfolding and aggregation of the protein upon mild heating which results in non-native intermolecular beta-sheet appearing in the amide I' region of the corresponding infrared spectra. The association process leads to aggregates with compacted morphologies entrapping mellitate anions. The capacity of extremely diluted mellitate anions (i.e. at sub-millimolar concentration range to trigger aggregation of proteins is discussed in the context of mechanisms of misfolding.

  17. Hall voltage drives pulsing counter-currents of the sliding charge density wave and of quantized normal carriers at self-filled Landau levels

    Science.gov (United States)

    Orlov, Andrey P.; Sinchenko, Aleksander A.; Monceau, Pierre; Brazovskii, Serguei; Latyshev, Yuri I.

    2017-11-01

    Remnant pockets of carriers left over after formation of a charge density wave (CDW) were brought, by virtue of transverse electric and magnetic fields, to a current-carrying state at quantized Landau Levels. The generated Hall voltage polarizes and puts to sliding the flexible CDW background. The screening from the CDW allows for a so strong redistribution of normal electrons density under the action of the Lorentz force alone, that an integer filling of the lowest Landau level might be reached at one edge at the expense of the full depletion at another edge of the Hall bar. With the Hall field exceeding the sliding threshold, the regime of exactly compensated collective and normal counter-currents develops in the open-circuit direction across the bar. The annihilation of the two currents proceeds via a regular sequence of phase slips which are the space-time vortices of the CDW phase around the enforced amplitude nodes. The resulting spontaneous generation of coherent high ( GHz) frequency signals was detected by observations of multiple Shapiro steps. This picture results from studies of micron-sized Hall bars in crystals of NbSe3 prepared by means of focused ion beams. The interpretation is confirmed and illustrated by a numerical solution of the derived equations. The depinning pulse propagates from edges to the bulk and the sliding sets in, accompanied by the generation of periodic phase slips near the Hall bar edge where the CDW phase is advanced in steps of 2π at expense of the CDW amplitude passing through zero.

  18. Angle-resolved photoemission study of the evolution of band structure and charge density wave properties in RTe3 (R= Y, La, Ce, Sm, Gd, Tb and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Brouet, V.; Yang, W.L.; Zhou, X.J.; Hussain, Z.; Moore, R.G.; He, R.; Lu, D.H.; Shen, Z.X.; Laverock, J.; Dugdale, S.; Ru, N.; Fisher, I.R.

    2010-02-15

    We present a detailed ARPES investigation of the RTe{sub 3} family, which sets this system as an ideal 'textbook' example for the formation of a nesting driven Charge Density Wave (CDW). This family indeed exhibits the full range of phenomena that can be associated to CDW instabilities, from the opening of large gaps on the best nested parts of Fermi Surface (FS) (up to 0.4eV), to the existence of residual metallic pockets. ARPES is the best suited technique to characterize these features, thanks to its unique ability to resolve the electronic structure in k-space. An additional advantage of RTe{sub 3} is that the band structure can be very accurately described by a simple 2D tight-binding (TB) model, which allows one to understand and easily reproduce many characteristics of the CDW. In this paper, we first establish the main features of the electronic structure, by comparing our ARPES measurements with Linear Muffin-Tin Orbital band calculations. We use this to define the validity and limits of the TB model. We then present a complete description of the CDW properties and, for the first time, of their strong evolution as a function of R. Using simple models, we are able to reproduce perfectly the evolution of gaps in k-space, the evolution of the CDW wave vector with R and the shape of the residual metallic pockets. Finally, we give an estimation of the CDW interaction parameters and find that the change in the electronic density of states n(Ef), due to lattice expansion when different R ions are inserted, has the correct order of magnitude to explain the evolution of the CDW properties.

  19. ARPES study of the evolution of band structure and charge density wave properties in RTe3 ( R=Y , La, Ce, Sm, Gd, Tb, and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Zahid; Brouet, Veronique; Yang, Wanli; Zhou, Xingjiang; Hussain, Zahid; Moore, R.G.; He, R.; Lu, D. H.; Shen, Z.X.; Laverock, J.; Dugdale, S.B.; Ru, N.; Fisher, R.

    2008-01-16

    We present a detailed angle-resolved photoemission spectroscopy (ARPES) investigation of the RTe3 family, which sets this system as an ideal"textbook" example for the formation of a nesting driven charge density wave (CDW). This family indeed exhibits the full range of phenomena that can be associated to CDWinstabilities, from the opening of large gaps on the best nested parts of Fermi surface (up to 0.4 eV), to the existence of residual metallic pockets. ARPES is the best suited technique to characterize these features, thanks to its unique ability to resolve the electronic structure in k space. An additional advantage of RTe3 is that theband structure can be very accurately described by a simple two dimensional tight-binding (TB) model, which allows one to understand and easily reproduce many characteristics of the CDW. In this paper, we first establish the main features of the electronic structure by comparing our ARPES measurements with the linear muffin-tinorbital band calculations. We use this to define the validity and limits of the TB model. We then present a complete description of the CDW properties and of their strong evolution as a function of R. Using simple models, we are able to reproduce perfectly the evolution of gaps in k space, the evolution of the CDW wave vector with R, and the shape of the residual metallic pockets. Finally, we give an estimation of the CDWinteraction parameters and find that the change in the electronic density of states n (EF), due to lattice expansion when different R ions are inserted, has the correct order of magnitude to explain the evolution of the CDW properties.

  20. On Lunar Exospheric Column Densities and Solar Wind Access Beyond the Terminator from ROSAT Soft X-Ray Observations of Solar Wind Charge Exchange

    Science.gov (United States)

    Collier, Michael R.; Snowden, S. L.; Sarantos, M.; Benna, M.; Carter, J. A.; Cravens, T. E.; Farrell, W. M.; Fatemi, S.; Hills, H. Kent; Hodges, R. R.; hide

    2014-01-01

    We analyze the Rontgen satellite (ROSAT) position sensitive proportional counter soft X-ray image of the Moon taken on 29 June 1990 by examining the radial profile of the surface brightness in three wedges: two 19 deg wedges (one north and one south) 13-32 deg off the terminator toward the dark side and one wedge 38 deg wide centered on the antisolar direction. The radial profiles of both the north and the south wedges show significant limb brightening that is absent in the 38 deg wide antisolar wedge. An analysis of the soft X-ray intensity increase associated with the limb brightening shows that its magnitude is consistent with that expected due to solar wind charge exchange (SWCX) with the tenuous lunar atmosphere based on lunar exospheric models and hybrid simulation results of solar wind access beyond the terminator. Soft X-ray imaging thus can independently infer the total lunar limb column density including all species, a property that before now has not been measured, and provide a large-scale picture of the solar wind-lunar interaction. Because the SWCX signal appears to be dominated by exospheric species arising from solar wind implantation, this technique can also determine how the exosphere varies with solar wind conditions. Now, along with Mars, Venus, and Earth, the Moon represents another solar system body at which SWCX has been observed.

  1. Extraction of sub-gap density of states via capacitance–voltage measurement for the erasing process in a TFT charge-trapping memory

    Directory of Open Access Journals (Sweden)

    Yen-Chang Chiang

    2018-02-01

    Full Text Available Charge-trapping memories (CTMs based on zinc tin oxide (ZTO semiconductor thin-film transistors (TFTs can be programmed by a positive gate voltage and erased by a negative gate voltage in conjunction with light illumination. To understand the mechanism involved, the sub-gap density of states associated with ionized oxygen vacancies in the ZTO active layer is extracted from optical response capacitance–voltage (C–V measurements. The corresponding energy states of ionized oxygen vacancies are observed below the conduction band minimum at approximately 0.5–1.0 eV. From a comparison of the fitted oxygen vacancy concentration in the CTM-TFT after the light-bias erasing operation, it is found that the pristine-erased device contains more oxygen vacancies than the program-erased device because the trapped electrons in the programmed device are pulled into the active layer and neutralized by the oxygen vacancies that are present there.

  2. The 7 × 1 Fermi Surface Reconstruction in a Two-dimensional f -electron Charge Density Wave System: PrTe3

    Science.gov (United States)

    Lee, Eunsook; Kim, D. H.; Kim, Hyun Woo; Denlinger, J. D.; Kim, Heejung; Kim, Junwon; Kim, Kyoo; Min, B. I.; Min, B. H.; Kwon, Y. S.; Kang, J.-S.

    2016-01-01

    The electronic structure of a charge density wave (CDW) system PrTe3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f -Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe3 are explained by the calculated FS for the assumed 7 × 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along kz, demonstrating the nearly 2D character for the near-EF states. The observed linear dichroism reveals the in-plane orbital character of the near-EF Te 5p states. PMID:27453329

  3. Three-dimensional electron realm in VSe2 by soft-x-ray photoelectron spectroscopy: origin of charge-density waves.

    Science.gov (United States)

    Strocov, Vladimir N; Shi, Ming; Kobayashi, Masaki; Monney, Claude; Wang, Xiaoqiang; Krempasky, Juraj; Schmitt, Thorsten; Patthey, Luc; Berger, Helmuth; Blaha, Peter

    2012-08-24

    The resolution of angle-resolved photoelectron spectroscopy (ARPES) in three-dimensional (3D) momentum k is fundamentally limited by ill defined surface-perpendicular wave vector k(perpendicular) associated with the finite photoelectron mean free path. Pushing ARPES into the soft-x-ray energy region sharpens the k(perpendicular) definition, allowing accurate electronic structure investigations in 3D materials. We apply soft-x-ray ARPES to explore the 3D electron realm in a paradigm transition metal dichalcogenide VSe2. Essential to break through the dramatic loss of the valence band photoexcitation cross section at soft-x-ray energies is the advanced photon flux performance of our synchrotron instrumentation. By virtue of the sharp 3D momentum definition, the soft-x-ray ARPES experimental band structure and Fermi surface of VSe2 show a textbook clarity. We identify pronounced 3D warping of the Fermi surface and show that its concomitant nesting acts as the precursor for the exotic 3D charge-density waves in VSe2. Our results demonstrate the immense potential of soft-x-ray ARPES to explore details of 3D electronic structure.

  4. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at $\\sqrt{s_{\\rm NN}}$ = 5.02 TeV

    CERN Document Server

    Adam, Jaroslav; Aggarwal, Madan Mohan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agrawal, Neelima; Ahammed, Zubayer; Ahmad, Shakeel; Ahn, Sang Un; Aiola, Salvatore; Akindinov, Alexander; Alam, Sk Noor; Aleksandrov, Dmitry; Alessandro, Bruno; Alexandre, Didier; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Millan Almaraz, Jesus Roberto; Alme, Johan; Alt, Torsten; Altinpinar, Sedat; Altsybeev, Igor; Alves Garcia Prado, Caio; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshaeuser, Harald; Arcelli, Silvia; Arnaldi, Roberta; Arnold, Oliver Werner; Arsene, Ionut Cristian; Arslandok, Mesut; Audurier, Benjamin; Augustinus, Andre; Averbeck, Ralf Peter; Azmi, Mohd Danish; Badala, Angela; Baek, Yong Wook; Bagnasco, Stefano; Bailhache, Raphaelle Marie; Bala, Renu; Balasubramanian, Supraja; Baldisseri, Alberto; Baral, Rama Chandra; Barbano, Anastasia Maria; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Ramillien Barret, Valerie; Bartalini, Paolo; Barth, Klaus; Bartke, Jerzy Gustaw; Bartsch, Esther; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batista Camejo, Arianna; Batyunya, Boris; Batzing, Paul Christoph; Bearden, Ian Gardner; Beck, Hans; Bedda, Cristina; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bello Martinez, Hector; Bellwied, Rene; Belmont Iii, Ronald John; Belmont Moreno, Ernesto; Belyaev, Vladimir; Benacek, Pavel; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bertens, Redmer Alexander; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhat, Inayat Rasool; Bhati, Ashok Kumar; Bhattacharjee, Buddhadeb; Bhom, Jihyun; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Biro, Gabor; Biswas, Rathijit; Biswas, Saikat; Bjelogrlic, Sandro; Blair, Justin Thomas; Blau, Dmitry; Blume, Christoph; Bock, Friederike; Bogdanov, Alexey; Boggild, Hans; Boldizsar, Laszlo; Bombara, Marek; Book, Julian Heinz; Borel, Herve; Borissov, Alexander; Borri, Marcello; Bossu, Francesco; Botta, Elena; Bourjau, Christian; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Broker, Theo Alexander; Browning, Tyler Allen; Broz, Michal; Brucken, Erik Jens; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Buncic, Predrag; Busch, Oliver; Buthelezi, Edith Zinhle; Bashir Butt, Jamila; Buxton, Jesse Thomas; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calero Diaz, Liliet; Caliva, Alberto; Calvo Villar, Ernesto; Camerini, Paolo; Carena, Francesco; Carena, Wisla; Carnesecchi, Francesca; Castillo Castellanos, Javier Ernesto; Castro, Andrew John; Casula, Ester Anna Rita; Ceballos Sanchez, Cesar; Cerello, Piergiorgio; Cerkala, Jakub; Chang, Beomsu; Chapeland, Sylvain; Chartier, Marielle; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Chauvin, Alex; Chelnokov, Volodymyr; Cherney, Michael Gerard; Cheshkov, Cvetan Valeriev; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Dobrigkeit Chinellato, David; Cho, Soyeon; Chochula, Peter; Choi, Kyungeon; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Colamaria, Fabio Filippo; Colella, Domenico; Collu, Alberto; Colocci, Manuel; Conesa Balbastre, Gustavo; Conesa Del Valle, Zaida; Connors, Megan Elizabeth; Contreras Nuno, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Crochet, Philippe; Cruz Albino, Rigoberto; Cuautle Flores, Eleazar; Cunqueiro Mendez, Leticia; Dahms, Torsten; Dainese, Andrea; Danisch, Meike Charlotte; Danu, Andrea; Das, Debasish; Das, Indranil; Das, Supriya; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; De Caro, Annalisa; De Cataldo, Giacinto; De Conti, Camila; De Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; Deisting, Alexander; Deloff, Andrzej; Denes, Ervin Sandor; Deplano, Caterina; Dhankher, Preeti; Di Bari, Domenico; Di Mauro, Antonio; Di Nezza, Pasquale; Diaz Corchero, Miguel Angel; Dietel, Thomas; Dillenseger, Pascal; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Domenicis Gimenez, Diogenes; Donigus, Benjamin; Dordic, Olja; Drozhzhova, Tatiana; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Ehlers Iii, Raymond James; Elia, Domenico; Endress, Eric; Engel, Heiko; Epple, Eliane; Erazmus, Barbara Ewa; Erdemir, Irem; Erhardt, Filip; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Eum, Jongsik; Evans, David; Evdokimov, Sergey; Eyyubova, Gyulnara; Fabbietti, Laura; Fabris, Daniela; Faivre, Julien; Fantoni, Alessandra; Fasel, Markus; Feldkamp, Linus; Feliciello, Alessandro; Feofilov, Grigorii; Ferencei, Jozef; Fernandez Tellez, Arturo; Gonzalez Ferreiro, Elena; Ferretti, Alessandro; Festanti, Andrea; Feuillard, Victor Jose Gaston; Figiel, Jan; Araujo Silva Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Fleck, Martin Gabriel; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fronze, Gabriele Gaetano; Fuchs, Ulrich; Furget, Christophe; Furs, Artur; Fusco Girard, Mario; Gaardhoeje, Jens Joergen; Gagliardi, Martino; Gago Medina, Alberto Martin; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Gao, Chaosong; Garabatos Cuadrado, Jose; Garcia-Solis, Edmundo Javier; Gargiulo, Corrado; Gasik, Piotr Jan; Gauger, Erin Frances; Germain, Marie; Gheata, Andrei George; Gheata, Mihaela; Ghosh, Premomoy; Ghosh, Sanjay Kumar; Gianotti, Paola; Giubellino, Paolo; Giubilato, Piero; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez Coral, Diego Mauricio; Gomez Ramirez, Andres; Gonzalez, Victor; Gonzalez Zamora, Pedro; Gorbunov, Sergey; Gorlich, Lidia Maria; Gotovac, Sven; Grabski, Varlen; Grachov, Oleg Anatolievich; Graczykowski, Lukasz Kamil; Graham, Katie Leanne; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoryev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grynyov, Borys; Grion, Nevio; Gronefeld, Julius Maximilian; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerzoni, Barbara; Gulbrandsen, Kristjan Herlache; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Haake, Rudiger; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Hamon, Julien Charles; Harris, John William; Harton, Austin Vincent; Hatzifotiadou, Despina; Hayashi, Shinichi; Heckel, Stefan Thomas; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hillemanns, Hartmut; Hippolyte, Boris; Horak, David; Hosokawa, Ritsuya; Hristov, Peter Zahariev; Huang, Meidana; Humanic, Thomas; Hussain, Nur; Hussain, Tahir; Hutter, Dirk; Hwang, Dae Sung; Ilkaev, Radiy; Inaba, Motoi; Incani, Elisa; Ippolitov, Mikhail; Irfan, Muhammad; Ivanov, Marian; Ivanov, Vladimir; Izucheev, Vladimir; Jacazio, Nicolo; Jacobs, Peter Martin; Jadhav, Manoj Bhanudas; Jadlovska, Slavka; Jadlovsky, Jan; Jahnke, Cristiane; Jakubowska, Monika Joanna; Jang, Haeng Jin; Janik, Malgorzata Anna; Pahula Hewage, Sandun; Jena, Chitrasen; Jena, Satyajit; Jimenez Bustamante, Raul Tonatiuh; Jones, Peter Graham; Jusko, Anton; Kalinak, Peter; Kalweit, Alexander Philipp; Kamin, Jason Adrian; Kang, Ju Hwan; Kaplin, Vladimir; Kar, Somnath; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karayan, Lilit; Karpechev, Evgeny; Kebschull, Udo Wolfgang; Keidel, Ralf; Keijdener, Darius Laurens; Keil, Markus; Khan, Mohammed Mohisin; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Do Won; Kim, Dong Jo; Kim, Daehyeok; Kim, Hyeonjoong; Kim, Jinsook; Kim, Minwoo; Kim, Se Yong; Kim, Taesoo; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Kiss, Gabor; Klay, Jennifer Lynn; Klein, Carsten; Klein, Jochen; Klein-Boesing, Christian; Klewin, Sebastian; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Kobdaj, Chinorat; Kofarago, Monika; Kollegger, Thorsten; Kolozhvari, Anatoly; Kondratev, Valerii; Kondratyeva, Natalia; Kondratyuk, Evgeny; Konevskikh, Artem; Kopcik, Michal; Kostarakis, Panagiotis; Kour, Mandeep; Kouzinopoulos, Charalampos; Kovalenko, Oleksandr; Kovalenko, Vladimir; Kowalski, Marek; Koyithatta Meethaleveedu, Greeshma; Kralik, Ivan; Kravcakova, Adela; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Kryshen, Evgeny; Krzewicki, Mikolaj; Kubera, Andrew Michael; Kucera, Vit; Kuhn, Christian Claude; Kuijer, Paulus Gerardus; Kumar, Ajay; Kumar, Jitendra; Lokesh, Kumar; Kumar, Shyam; Kurashvili, Podist; Kurepin, Alexander; Kurepin, Alexey; Kuryakin, Alexey; Kweon, Min Jung; Kwon, Youngil; La Pointe, Sarah Louise; La Rocca, Paola; Ladron De Guevara, Pedro; Lagana Fernandes, Caio; Lakomov, Igor; Langoy, Rune; Lara Martinez, Camilo Ernesto; Lardeux, Antoine Xavier; Lattuca, Alessandra; Laudi, Elisa; Lea, Ramona; Leardini, Lucia; Lee, Graham Richard; Lee, Seongjoo; Lehas, Fatiha; Lemmon, Roy Crawford; Lenti, Vito; Leogrande, Emilia; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Leoncino, Marco; Levai, Peter; Li, Shuang; Li, Xiaomei; Lien, Jorgen Andre; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Lodato, Davide Francesco; Lonne, Per-Ivar; Loginov, Vitaly; Loizides, Constantinos; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lowe, Andrew John; Luettig, Philipp Johannes; Lunardon, Marcello; Luparello, Grazia; Lutz, Tyler Harrison; Maevskaya, Alla; Mager, Magnus; Mahajan, Sanjay; Mahmood, Sohail Musa; Maire, Antonin; Majka, Richard Daniel; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Liudmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manko, Vladislav; Manso, Franck; Manzari, Vito; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Margutti, Jacopo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martin, Nicole Alice; Martin Blanco, Javier; Martinengo, Paolo; Martinez Hernandez, Mario Ivan; Martinez-Garcia, Gines; Martinez Pedreira, Miguel; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel Anthony; Mazzoni, Alessandra Maria; Mcdonald, Daniel; Meddi, Franco; Melikyan, Yuri; Menchaca-Rocha, Arturo Alejandro; Meninno, Elisa; Mercado-Perez, Jorge; Meres, Michal; Miake, Yasuo; Mieskolainen, Matti Mikael; Mikhaylov, Konstantin; Milano, Leonardo; Milosevic, Jovan; Minervini, Lazzaro Manlio; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz Czeslaw; Mitra, Jubin; Mitu, Ciprian Mihai; Mohammadi, Naghmeh; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Montes Prado, Esther; Moreira De Godoy, Denise Aparecida; Perez Moreno, Luis Alberto; Moretto, Sandra; Morreale, Astrid; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhlheim, Daniel Michael; Muhuri, Sanjib; Mukherjee, Maitreyee; Mulligan, James Declan; Gameiro Munhoz, Marcelo; Munzer, Robert Helmut; Murakami, Hikari; Murray, Sean; Musa, Luciano; Musinsky, Jan; Naik, Bharati; Nair, Rahul; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Naru, Muhammad Umair; Ferreira Natal Da Luz, Pedro Hugo; Nattrass, Christine; Rosado Navarro, Sebastian; Nayak, Kishora; Nayak, Ranjit; Nayak, Tapan Kumar; Nazarenko, Sergey; Nedosekin, Alexander; Nellen, Lukas; Ng, Fabian; Nicassio, Maria; Niculescu, Mihai; Niedziela, Jeremi; Nielsen, Borge Svane; Nikolaev, Sergey; Nikulin, Sergey; Nikulin, Vladimir; Noferini, Francesco; Nomokonov, Petr; Nooren, Gerardus; Cabanillas Noris, Juan Carlos; Norman, Jaime; Nyanin, Alexander; Nystrand, Joakim Ingemar; Oeschler, Helmut Oskar; Oh, Saehanseul; Oh, Sun Kun; Ohlson, Alice Elisabeth; Okatan, Ali; Okubo, Tsubasa; Olah, Laszlo; Oleniacz, Janusz; Oliveira Da Silva, Antonio Carlos; Oliver, Michael Henry; Onderwaater, Jacobus; Oppedisano, Chiara; Orava, Risto; Ortiz Velasquez, Antonio; Oskarsson, Anders Nils Erik; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozdemir, Mahmut; Pachmayer, Yvonne Chiara; Pagano, Paola; Paic, Guy; Pal, Susanta Kumar; Pan, Jinjin; Pandey, Ashutosh Kumar; Papikyan, Vardanush; Pappalardo, Giuseppe; Pareek, Pooja; Park, Woojin; Parmar, Sonia; Passfeld, Annika; Paticchio, Vincenzo; Patra, Rajendra Nath; Paul, Biswarup; Pei, Hua; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Peresunko, Dmitry Yurevich; Perez Lara, Carlos Eugenio; Perez Lezama, Edgar; Peskov, Vladimir; Pestov, Yury; Petracek, Vojtech; Petrov, Viacheslav; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Pikna, Miroslav; Pillot, Philippe; Ozelin De Lima Pimentel, Lais; Pinazza, Ombretta; Pinsky, Lawrence; Piyarathna, Danthasinghe; Ploskon, Mateusz Andrzej; Planinic, Mirko; Pluta, Jan Marian; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polishchuk, Boris; Poljak, Nikola; Poonsawat, Wanchaloem; Pop, Amalia; Porteboeuf, Sarah Julie; Porter, R Jefferson; Pospisil, Jan; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puccio, Maximiliano; Puddu, Giovanna; Pujahari, Prabhat Ranjan; Punin, Valery; Putschke, Jorn Henning; Qvigstad, Henrik; Rachevski, Alexandre; Raha, Sibaji; Rajput, Sonia; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Rami, Fouad; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Rascanu, Bogdan Theodor; Rathee, Deepika; Read, Kenneth Francis; Redlich, Krzysztof; Reed, Rosi Jan; Rehman, Attiq Ur; Reichelt, Patrick Simon; Reidt, Felix; Ren, Xiaowen; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Revol, Jean-Pierre; Reygers, Klaus Johannes; Riabov, Viktor; Ricci, Renato Angelo; Richert, Tuva Ora Herenui; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Ristea, Catalin-Lucian; Rocco, Elena; Rodriguez Cahuantzi, Mario; Rodriguez Manso, Alis; Roeed, Ketil; Rogochaya, Elena; Rohr, David Michael; Roehrich, Dieter; Romita, Rosa; Ronchetti, Federico; Ronflette, Lucile; Rosnet, Philippe; Rossi, Andrea; Roukoutakis, Filimon; Roy, Ankhi; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Russo, Riccardo; Ryabinkin, Evgeny; Ryabov, Yury; Rybicki, Andrzej; Sadovskiy, Sergey; Safarik, Karel; Sahlmuller, Baldo; Sahoo, Pragati; Sahoo, Raghunath; Sahoo, Sarita; Sahu, Pradip Kumar; Saini, Jogender; Sakai, Shingo; Saleh, Mohammad Ahmad; Salzwedel, Jai Samuel Nielsen; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sarkar, Debojit; Sarma, Pranjal; Scapparone, Eugenio; Scarlassara, Fernando; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schuchmann, Simone; Schukraft, Jurgen; Schulc, Martin; Schuster, Tim Robin; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Rebecca Michelle; Sefcik, Michal; Seger, Janet Elizabeth; Sekiguchi, Yuko; Sekihata, Daiki; Selyuzhenkov, Ilya; Senosi, Kgotlaesele; Senyukov, Serhiy; Serradilla Rodriguez, Eulogio; Sevcenco, Adrian; Shabanov, Arseniy; Shabetai, Alexandre; Shadura, Oksana; Shahoyan, Ruben; Shangaraev, Artem; Sharma, Ankita; Sharma, Mona; Sharma, Monika; Sharma, Natasha; Shigaki, Kenta; Shtejer Diaz, Katherin; Sibiryak, Yury; Siddhanta, Sabyasachi; Sielewicz, Krzysztof Marek; Siemiarczuk, Teodor; Silvermyr, David Olle Rickard; Silvestre, Catherine Micaela; Simatovic, Goran; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Singha, Subhash; Singhal, Vikas; Sinha, Bikash; Sarkar - Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Slupecki, Maciej; Smirnov, Nikolai; Snellings, Raimond; Snellman, Tomas Wilhelm; Soegaard, Carsten; Song, Jihye; Song, Myunggeun; Song, Zixuan; Soramel, Francesca; Sorensen, Soren Pontoppidan; Derradi De Souza, Rafael; Sozzi, Federica; Spacek, Michal; Spiriti, Eleuterio; Sputowska, Iwona Anna; Spyropoulou-Stassinaki, Martha; Stachel, Johanna; Stan, Ionel; Stankus, Paul; Stefanek, Grzegorz; Stenlund, Evert Anders; Steyn, Gideon Francois; Stiller, Johannes Hendrik; Stocco, Diego; Strmen, Peter; Alarcon Do Passo Suaide, Alexandre; Sugitate, Toru; Suire, Christophe Pierre; Suleymanov, Mais Kazim Oglu; Suljic, Miljenko; Sultanov, Rishat; Sumbera, Michal; Szabo, Alexander; Szanto De Toledo, Alejandro; Szarka, Imrich; Szczepankiewicz, Adam; Szymanski, Maciej Pawel; Tabassam, Uzma; Takahashi, Jun; Tambave, Ganesh Jagannath; Tanaka, Naoto; Tangaro, Marco-Antonio; Tarhini, Mohamad; Tariq, Mohammad; Tarzila, Madalina-Gabriela; Tauro, Arturo; Tejeda Munoz, Guillermo; Telesca, Adriana; Terasaki, Kohei; Terrevoli, Cristina; Teyssier, Boris; Thaeder, Jochen Mathias; Thomas, Deepa; Tieulent, Raphael Noel; Timmins, Anthony Robert; Toia, Alberica; Trogolo, Stefano; Trombetta, Giuseppe; Trubnikov, Victor; Trzaska, Wladyslaw Henryk; Tsuji, Tomoya; Tumkin, Alexandr; Turrisi, Rosario; Tveter, Trine Spedstad; Ullaland, Kjetil; Uras, Antonio; Usai, Gianluca; Utrobicic, Antonija; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; Van Der Maarel, Jasper; Van Hoorne, Jacobus Willem; Van Leeuwen, Marco; Vanat, Tomas; Vande Vyvre, Pierre; Varga, Dezso; Diozcora Vargas Trevino, Aurora; Vargyas, Marton; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vauthier, Astrid; Vechernin, Vladimir; Veen, Annelies Marianne; Veldhoen, Misha; Velure, Arild; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara Limon, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Viinikainen, Jussi Samuli; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Villatoro Tello, Abraham; Vinogradov, Alexander; Vinogradov, Leonid; Vinogradov, Yury; Virgili, Tiziano; Vislavicius, Vytautas; Viyogi, Yogendra; Vodopyanov, Alexander; Volkl, Martin Andreas; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; Von Haller, Barthelemy; Vorobyev, Ivan; Vranic, Danilo; Vrlakova, Janka; Vulpescu, Bogdan; Wagner, Boris; Wagner, Jan; Wang, Hongkai; Wang, Mengliang; Watanabe, Daisuke; Watanabe, Yosuke; Weber, Michael; Weber, Steffen Georg; Weiser, Dennis Franz; Wessels, Johannes Peter; Westerhoff, Uwe; Whitehead, Andile Mothegi; Wiechula, Jens; Wikne, Jon; Wilk, Grzegorz Andrzej; Wilkinson, Jeremy John; Williams, Crispin; Windelband, Bernd Stefan; Winn, Michael Andreas; Yang, Hongyan; Yang, Ping; Yano, Satoshi; Yasar, Cigdem; Yin, Zhongbao; Yokoyama, Hiroki; Yoo, In-Kwon; Yoon, Jin Hee; Yurchenko, Volodymyr; Yushmanov, Igor; Zaborowska, Anna; Zaccolo, Valentina; Zaman, Ali; Zampolli, Chiara; Correia Zanoli, Henrique Jose; Zaporozhets, Sergey; Zardoshti, Nima; Zarochentsev, Andrey; Zavada, Petr; Zavyalov, Nikolay; Zbroszczyk, Hanna Paulina; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhang, Yonghong; Chunhui, Zhang; Zhang, Zuman; Zhao, Chengxin; Zhigareva, Natalia; Zhou, Daicui; Zhou, You; Zhou, Zhuo; Zhu, Hongsheng; Zhu, Jianhui; Zichichi, Antonino; Zimmermann, Alice; Zimmermann, Markus Bernhard; Zinovjev, Gennady; Zyzak, Maksym

    2016-06-03

    The pseudorapidity density of charged particles ($\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$) at mid-rapidity in Pb-Pb collisions has been measured at a center-of-mass energy per nucleon pair of $\\sqrt{s_{\\rm NN}}$ = 5.02 TeV. It increases with centrality and reaches a value of $1943 \\pm 54$ in $|\\eta|<0.5$ for the 5% most central collisions. A rise in $\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$ as a function of $\\sqrt{s_{\\rm NN}}$ for the most central collisions is observed, steeper than that observed in proton-proton collisions and following the trend established by measurements at lower energy. The centrality dependence of $\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$ as a function of the average number of participant nucleons, ${\\langle N_\\mathrm{part} \\rangle}$, calculated in a Glauber model, is compared with the previous measurement at lower energy. A constant factor of about 1.2 describes the increase in $\\frac{2}{\\langle N_\\mathrm{part} \\rangle}\\langle \\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta \\rangle$ from $\\sq...

  5. The temperature dependent shear strain of the (NbSe4)(10)I-3 compound, a quasi-one-dimensional charge density wave system, below the Peierls transition

    NARCIS (Netherlands)

    Vucic, Z; Gladic, J; Haas, C; DeBoer, JL

    An X-ray study of the quasi-one-dimensional charge density wave (CDW) system (NbSe4)(10)I-3 as a function of temperature from room temperature down to 130 K has been performed by taking oscillation and zeroth level Weissenberg photographs. A reversible transformation of the room temperature

  6. J/ψ production as a function of charged-particle pseudorapidity density in p–Pb collisions at √sNN = 5.02 TeV

    NARCIS (Netherlands)

    Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altsybeev, I.; Alves Garcia Prado, C.; Janssen, M M; Andrei, C.; Andrews, H. A.; Andronic, A.; Anguelov, V.; Anson, C. D.; Antičić, T.; Antinori, F.; Antonioli, P.; Anwar, R.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Ball, M.C.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barioglio, L.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.|info:eu-repo/dai/nl/411263188; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.|info:eu-repo/dai/nl/371577810; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.|info:eu-repo/dai/nl/371578248; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Blair, J. T.; Blau, D.; Blume, C.; Boca, G.; Bock, F.; Bogdanov, A.; Boldizsár, L.; Bombara, M.; Bonomi, G.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buhler, P.; Iga Buitron, S. A.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Caines, H.; Caliva, A.|info:eu-repo/dai/nl/411885812; Calvo Villar, E.; Camerini, P.; Capon, A. A.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A R; Ceballos Sanchez, C.; Cerello, P.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, Sukhee; Chochula, P.; Choi, K.; Chojnacki, M.|info:eu-repo/dai/nl/411888056; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Costanza, S.; Crkovská, J.; Crochet, P.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; Dasgupta, S. S.; De Caro, A.; De Cataldo, G.; De Conti, C.; De Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; De Souza, R. Derradi; Degenhardt, H. F.; Deisting, A.; Deloff, A.; Deplano, C.; Dhankher, P.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, O.; Dobrin, A.|info:eu-repo/dai/nl/372618715; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.|info:eu-repo/dai/nl/355502488; Ducroux, L.; Duggal, A. K.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erhardt, F.; Espagnon, B.; Esumi, S.; Eulisse, G.; Eum, J.; Evans, D.; Evdokimov, S.; Fabbietti, L.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A S; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; De Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Garg, K.; Garg, P.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Gay Ducati, M. B.; Germain, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; Gonzalez, V; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Greiner, L. C.; Grelli, A.|info:eu-repo/dai/nl/326052577; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grion, N.; Gronefeld, J. M.; Grosa, F.; Grosse-Oetringhaus, J. F.; Grosso, R.; Gruber, L.; Grull, F. R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Gupta, R.; Guzman, I. B.; Haake, R.; Hadjidakis, C.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Hellbär, E.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Herrmann, F.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Hladky, J.; Hohlweger, B.; Horak, D.; Hosokawa, R.; Hristov, P.; Hughes, C.W.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Ippolitov, M.; Irfan, M.; Isakov, V.; Islam, M. S.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacak, B.; Jacazio, N.; Jacobs, P. M.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jaelani, S.; Jahnke, C.; Jakubowska, M. J.; Janik, M. A.; Jayarathna, P. H S Y; Jena, C.; Jena, S.; Jercic, M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L.D.|info:eu-repo/dai/nl/370530780; Keil, M.; Ketzer, B.; Mohisin Khan, M.; Khan, P.M.; Khan, Shfaqat A.; Khanzadeev, A.; Kharlov, Y.; Khatun, A.; Khuntia, A.; Kielbowicz, M. M.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.-S.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.|info:eu-repo/dai/nl/371571227; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.L.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.|info:eu-repo/dai/nl/362845670; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.|info:eu-repo/dai/nl/074064975; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kundu, Seema; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.|info:eu-repo/dai/nl/355080192; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lapidus, K.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lavicka, R.; Lazaridis, L.; Lea, R.; Leardini, L.; Lee, S.; Lehas, F.|info:eu-repo/dai/nl/411295721; Strunz-Lehner, Christine; Lehrbach, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Litichevskyi, V.; Ljunggren, H. M.; Llope, W. J.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Loncar, P.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.|info:eu-repo/dai/nl/355080400; Lupi, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.|info:eu-repo/dai/nl/412461684; Marín, Alicia; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martinez, J. A. L.; Martínez, Isabel M.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Mastroserio, A.; Mathis, A. M.; Matyja, A.; mayer, C.; Mazer, J.; Mazzilli, M.; Mazzoni, M. A.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Mhlanga, S.; Miake, Y.; Mieskolainen, M. M.; Mihaylov, D. L.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.|info:eu-repo/dai/nl/325781435; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.|info:eu-repo/dai/nl/369405870; Mohanty, B.; Montes, E.; Moreira De Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Münning, K.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Myers, C. J.; Naik, B.; Nair, Rajiv; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal Da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Negrao De Oliveira, R. A.; Nellen, L.; Nesbo, S. V.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.|info:eu-repo/dai/nl/07051349X; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Ohlson, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.|info:eu-repo/dai/nl/323375618; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Oravec, M.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Pachmayer, Y.; Pacik, V.; Pagano, D.; Pagano, P.; Paić, G.; Palni, P.; Pan, J.; Pandey, A. K.; Panebianco, S.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, J.; Park, J.-W.; Parmar, S.; Passfeld, A.; Pathak, S. P.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.|info:eu-repo/dai/nl/304833959; Peng, X.; Pereira, L. G.; Pereira Da Costa, H.; Peresunko, D.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Pezzi, R. P.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L M; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Poppenborg, H.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Pozdniakov, V.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Rana, D. B.; Raniwala, R.; Raniwala, S.; Räsänen, S.; Rascanu, B. T.; Rathee, D.; Ratza, V.; Ravasenga, I.; Read, K. F.; Redlich, K.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.|info:eu-repo/dai/nl/413319628; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Rokita, P. S.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Rotondi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Rustamov, A.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Saarinen, S.; Sadhu, S.; Sadovsky, S.; Šafařík, K.; Saha, S. K.; Sahlmuller, B.; Sahoo, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sandoval, A.; Sarkar, D.; Sarkar, N.; Sarma, P.; Sas, M. H.P.|info:eu-repo/dai/nl/413332993; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Scheid, H. S.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schmidt, M. O.; Schmidt, M.; Schuchmann, S.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sett, P.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Sheikh, A. I.; Shigaki, K.; Shou, Q. Y.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R; Singhal, V.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J.M.|info:eu-repo/dai/nl/165585781; Snellman, T. W.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Sozzi, F.; Spiriti, E.; Sputowska, I.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stankus, P.; Stenlund, E.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A P; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Sumowidagdo, S.; Suzuki, K.; Swain, S.; Szabo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thakur, D.; Thakur, J. S.; Thomas, D.; Tieulent, R.; Tikhonov, A.; Timmins, A. R.; Toia, A.; tripathy, S.; Trogolo, S.; Trombetta, G.; Trubnikov, V.; Trzaska, W. H.; Trzeciak, B. A.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Umaka, E. N.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vala, M.; Van Der Maarel, J.|info:eu-repo/dai/nl/412860996; Van Hoorne, J. W.; van Leeuwen, M.|info:eu-repo/dai/nl/250599171; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vázquez Doce, O.; Vechernin, V.; Veen, A. M.|info:eu-repo/dai/nl/413533751; Velure, A.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Vértesi, R.; Vickovic, L.; Vigolo, S.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Virgili, T.; Vislavicius, V.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; Haller, B.; Vorobyev, I.; Voscek, D.; Vranic, D.; Vrláková, J.; Wagner, B.; Wagner, J.; Wang, H.|info:eu-repo/dai/nl/369509307; Wang, M.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Weiser, D. F.; Wessels, J. P.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Willems, G. A.; Williams, M. C S; Windelband, B.; Winn, M.; Witt, W. E.; Yalcin, S.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I. K.; Yoon, J. H.; Yurchenko, V.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zimmermann, S.; Zinovjev, G.; Zmeskal, J.

    2018-01-01

    We report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dNch/dη in p–Pb collisions at √sNN = 5.02 TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive

  7. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.

    Science.gov (United States)

    Maupin, C Mark; Aradi, Bálint; Voth, Gregory A

    2010-05-27

    The self-consistent charge density functional tight binding (SCC-DFTB) method is a relatively new approximate electronic structure method that is increasingly used to study biologically relevant systems in aqueous environments. There have been several gas phase cluster calculations that indicate, in some instances, an ability to predict geometries, energies, and vibrational frequencies in reasonable agreement with high level ab initio calculations. However, to date, there has been little validation of the method for bulk water properties, and no validation for the properties of the hydrated excess proton in water. Presented here is a detailed SCC-DFTB analysis of the latter two systems. This work focuses on the ability of the original SCC-DFTB method, and a modified version that includes a hydrogen bonding damping function (HBD-SCC-DFTB), to describe the structural, energetic, and dynamical nature of these aqueous systems. The SCC-DFTB and HBD-SCC-DFTB results are compared to experimental data and Car-Parrinello molecular dynamics (CPMD) simulations using the HCTH/120 gradient-corrected exchange-correlation energy functional. All simulations for these systems contained 128 water molecules, plus one additional proton in the case of the excess proton system, and were carried out in a periodic simulation box with Ewald long-range electrostatics. The liquid water structure for the original SCC-DFTB is shown to poorly reproduce bulk water properties, while the HBD-SCC-DFTB somewhat more closely represents bulk water due to an improved ability to describe hydrogen bonding energies. Both SCC-DFTB methods are found to underestimate the water dimer interaction energy, resulting in a low heat of vaporization and a significantly elevated water oxygen diffusion coefficient as compared to experiment. The addition of an excess hydrated proton to the bulk water resulted in the Zundel cation (H(5)O(2)(+)) stabilized species being the stable form of the charge defect, which

  8. Centrality evolution of the charged-particle pseudorapidity density over a broad pseudorapidity range in Pb–Pb collisions at sNN=2.76 TeV

    Directory of Open Access Journals (Sweden)

    J. Adam

    2016-03-01

    Full Text Available The centrality dependence of the charged-particle pseudorapidity density measured with ALICE in Pb–Pb collisions at sNN=2.76 TeV over a broad pseudorapidity range is presented. This Letter extends the previous results reported by ALICE to more peripheral collisions. No strong change of the overall shape of charged-particle pseudorapidity density distributions with centrality is observed, and when normalised to the number of participating nucleons in the collisions, the evolution over pseudorapidity with centrality is likewise small. The broad pseudorapidity range (−3.5<η<5 allows precise estimates of the total number of produced charged particles which we find to range from 162±22(syst. to 17170±770(syst. in 80–90% and 0–5% central collisions, respectively. The total charged-particle multiplicity is seen to approximately scale with the number of participating nucleons in the collision. This suggests that hard contributions to the charged-particle multiplicity are limited. The results are compared to models which describe dNch/dη at mid-rapidity in the most central Pb–Pb collisions and it is found that these models do not capture all features of the distributions.

  9. Scanning tunneling microscopy of atoms and charge density waves in 1T-TaS2, 1T-TaSe2 and 1T-VSe2

    International Nuclear Information System (INIS)

    Slough, G.; Giambattista, B.; Johnson, A.; McNairy, W.W.; Coleman, R.V.

    1988-01-01

    The layer structure dichalcogenide materials TaS 2 and TaSe 2 grow in several different phases depending on the coordination between the Ta and chalcogenide atoms and the number of three layer sandwiches per unit cell. The 1T phase has octahedral coordination between the Ta and chalcogenide atoms and has one three layer sandwich per unit cell. The high temperature Fermi surfaces (FSs) of the 1T phase Ta based materials exhibit a favorable nesting condition and undergo a charge-density-wave (CDW) transition at temperatures well above room temperature. At low temperatures the CDWs form a √13 /ovr string/a /times/ √13 a commensurate superlattice. STM scans on the 1T phases confirm the presence of an extremely strong CDW modulation inducing z-deflections in the constant current mode of anomalously large values. 1T-VSe 2 is also a member of the VB layer structure dichalcogenide group and band structure calculations show the high temperatures FS to be similar to that of 1T-TaSe 2 . However, sufficient differences exist such that the CDW formation is quite different. The CDW superlattice is observed to form only below room temperature and locks into a 4/ovr string/a /times/ 4/ovr string/a superlattice below /approximately/80K rather than the √13 /ovr string/a /times/ √13 /ovr string/a one observed in 1T-TaSe 2 . Based on electron and neutron diffraction results on stoichiometric 1T-VSe 2 two phase transitions are detected, a second order transition at 110K and a first order transition at /approximately/80K. 20 figs

  10. Measurement of charged particle multiplicities and densities in [Formula: see text] collisions at [Formula: see text]TeV in the forward region.

    Science.gov (United States)

    Aaij, R; Adeva, B; Adinolfi, M; Affolder, A; Ajaltouni, Z; Albrecht, J; Alessio, F; Alexander, M; Ali, S; Alkhazov, G; Alvarez Cartelle, P; Alves, A A; Amato, S; Amerio, S; Amhis, Y; Anderlini, L; Anderson, J; Andreassen, R; Andreotti, M; Andrews, J E; Appleby, R B; Aquines Gutierrez, O; Archilli, F; Artamonov, A; Artuso, M; Aslanides, E; Auriemma, G; Baalouch, M; Bachmann, S; Back, J J; Badalov, A; Balagura, V; Baldini, W; Barlow, R J; Barschel, C; Barsuk, S; Barter, W; Batozskaya, V; Bauer, Th; Bay, A; Beddow, J; Bedeschi, F; Bediaga, I; Belogurov, S; Belous, K; Belyaev, I; Ben-Haim, E; Bencivenni, G; Benson, S; Benton, J; Berezhnoy, A; Bernet, R; Bettler, M-O; van Beuzekom, M; Bien, A; Bifani, S; Bird, T; Bizzeti, A; Bjørnstad, P M; Blake, T; Blanc, F; Blouw, J; Blusk, S; Bocci, V; Bondar, A; Bondar, N; Bonivento, W; Borghi, S; Borgia, A; Borsato, M; Bowcock, T J V; Bowen, E; Bozzi, C; Brambach, T; Vanden Brand, J; Bressieux, J; Brett, D; Britsch, M; Britton, T; Brook, N H; Brown, H; Bursche, A; Busetto, G; Buytaert, J; Cadeddu, S; Calabrese, R; Callot, O; Calvi, M; Calvo Gomez, M; Camboni, A; Campana, P; Campora Perez, D; Carbone, A; Carboni, G; Cardinale, R; Cardini, A; Carranza-Mejia, H; Carson, L; Carvalho Akiba, K; Casse, G; Cassina, L; Castillo Garcia, L; Cattaneo, M; Cauet, Ch; Cenci, R; Charles, M; Charpentier, Ph; Cheung, S-F; Chiapolini, N; Chrzaszcz, M; Ciba, K; Cid Vidal, X; Ciezarek, G; Clarke, P E L; Clemencic, M; Cliff, H V; Closier, J; Coca, C; Coco, V; Cogan, J; Cogneras, E; Collins, P; Comerma-Montells, A; Contu, A; Cook, A; Coombes, M; Coquereau, S; Corti, G; Counts, I; Couturier, B; Cowan, G A; Craik, D C; Cruz Torres, M; Cunliffe, S; Currie, R; D'Ambrosio, C; Dalseno, J; David, P; David, P N Y; Davis, A; De Bonis, I; De Bruyn, K; De Capua, S; De Cian, M; De Miranda, J M; De Paula, L; De Silva, W; De Simone, P; Decamp, D; Deckenhoff, M; Del Buono, L; Déléage, N; Derkach, D; Deschamps, O; Dettori, F; Di Canto, A; Dijkstra, H; Donleavy, S; Dordei, F; Dorigo, M; Dorosz, P; Dosil Suárez, A; Dossett, D; Dovbnya, A; Dupertuis, F; Durante, P; Dzhelyadin, R; Dziurda, A; Dzyuba, A; Easo, S; Egede, U; Egorychev, V; Eidelman, S; Eisenhardt, S; Eitschberger, U; Ekelhof, R; Eklund, L; El Rifai, I; Elsasser, Ch; Esen, S; Falabella, A; Färber, C; Farinelli, C; Farry, S; Ferguson, D; Fernandez Albor, V; Ferreira Rodrigues, F; Ferro-Luzzi, M; Filippov, S; Fiore, M; Fiorini, M; Fitzpatrick, C; Fontana, M; Fontanelli, F; Forty, R; Francisco, O; Frank, M; Frei, C; Frosini, M; Fu, J; Furfaro, E; Gallas Torreira, A; Galli, D; Gandelman, M; Gandini, P; Gao, Y; Garofoli, J; Garra Tico, J; Garrido, L; Gaspar, C; Gauld, R; Gavardi, L; Gersabeck, E; Gersabeck, M; Gershon, T; Ghez, Ph; Gianelle, A; Giani, S; Gibson, V; Giubega, L; Gligorov, V V; Göbel, C; Golubkov, D; Golutvin, A; Gomes, A; Gordon, H; Grabalosa Gándara, M; Graciani Diaz, R; Granado Cardoso, L A; Graugés, E; Graziani, G; Grecu, A; Greening, E; Gregson, S; Griffith, P; Grillo, L; Grünberg, O; Gui, B; Gushchin, E; Guz, Yu; Gys, T; Hadjivasiliou, C; Haefeli, G; Haen, C; Hafkenscheid, T W; Haines, S C; Hall, S; Hamilton, B; Hampson, T; Hansmann-Menzemer, S; Harnew, N; Harnew, S T; Harrison, J; Hartmann, T; He, J; Head, T; Heijne, V; Hennessy, K; Henrard, P; Henry, L; Hernando Morata, J A; van Herwijnen, E; Heß, M; Hicheur, A; Hill, D; Hoballah, M; Hombach, C; Hulsbergen, W; Hunt, P; Hussain, N; Hutchcroft, D; Hynds, D; Iakovenko, V; Idzik, M; Ilten, P; Jacobsson, R; Jaeger, A; Jans, E; Jaton, P; Jawahery, A; Jing, F; John, M; Johnson, D; Jones, C R; Joram, C; Jost, B; Jurik, N; Kaballo, M; Kandybei, S; Kanso, W; Karacson, M; Karbach, T M; Kelsey, M; Kenyon, I R; Ketel, T; Khanji, B; Khurewathanakul, C; Klaver, S; Kochebina, O; Komarov, I; Koopman, R F; Koppenburg, P; Korolev, M; Kozlinskiy, A; Kravchuk, L; Kreplin, K; Kreps, M; Krocker, G; Krokovny, P; Kruse, F; Kucharczyk, M; Kudryavtsev, V; Kurek, K; Kvaratskheliya, T; La Thi, V N; Lacarrere, D; Lafferty, G; Lai, A; Lambert, D; Lambert, R W; Lanciotti, E; Lanfranchi, G; Langenbruch, C; Latham, T; Lazzeroni, C; Le Gac, R; van Leerdam, J; Lees, J-P; Lefèvre, R; Leflat, A; Lefrançois, J; Leo, S; Leroy, O; Lesiak, T; Leverington, B; Li, Y; Liles, M; Lindner, R; Linn, C; Lionetto, F; Liu, B; Liu, G; Lohn, S; Longstaff, I; Lopes, J H; Lopez-March, N; Lowdon, P; Lu, H; Lucchesi, D; Luisier, J; Luo, H; Luppi, E; Lupton, O; Machefert, F; Machikhiliyan, I V; Maciuc, F; Maev, O; Malde, S; Manca, G; Mancinelli, G; Manzali, M; Maratas, J; Marconi, U; Marino, P; Märki, R; Marks, J; Martellotti, G; Martens, A; Martín Sánchez, A; Martinelli, M; Martinez Santos, D; Martinez Vidal, F; Martins Tostes, D; Massafferri, A; Matev, R; Mathe, Z; Matteuzzi, C; Mazurov, A; McCann, M; McCarthy, J; McNab, A; McNulty, R; McSkelly, B; Meadows, B; Meier, F; Meissner, M; Merk, M; Milanes, D A; Minard, M-N; Molina Rodriguez, J; Monteil, S; Moran, D; Morandin, M; Morawski, P; Mordà, A; Morello, M J; Mountain, R; Muheim, F; Müller, K; Muresan, R; Muryn, B; Muster, B; Naik, P; Nakada, T; Nandakumar, R; Nasteva, I; Needham, M; Neri, N; Neubert, S; Neufeld, N; Nguyen, A D; Nguyen, T D; Nguyen-Mau, C; Nicol, M; Niess, V; Niet, R; Nikitin, N; Nikodem, T; Novoselov, A; Oblakowska-Mucha, A; Obraztsov, V; Oggero, S; Ogilvy, S; Okhrimenko, O; Oldeman, R; Onderwater, G; Orlandea, M; Otalora Goicochea, J M; Owen, P; Oyanguren, A; Pal, B K; Palano, A; Palombo, F; Palutan, M; Panman, J; Papanestis, A; Pappagallo, M; Pappalardo, L; Parkes, C; Parkinson, C J; Passaleva, G; Patel, G D; Patel, M; Patrignani, C; Pavel-Nicorescu, C; Pazos Alvarez, A; Pearce, A; Pellegrino, A; Penso, G; Pepe Altarelli, M; Perazzini, S; Perez Trigo, E; Perret, P; Perrin-Terrin, M; Pescatore, L; Pesen, E; Pessina, G; Petridis, K; Petrolini, A; Picatoste Olloqui, E; Pietrzyk, B; Pilař, T; Pinci, D; Pistone, A; Playfer, S; Plo Casasus, M; Polci, F; Polok, G; Poluektov, A; Polycarpo, E; Popov, A; Popov, D; Popovici, B; Potterat, C; Powell, A; Prisciandaro, J; Pritchard, A; 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Shevchenko, O; Shevchenko, V; Shires, A; Silva Coutinho, R; Simi, G; Sirendi, M; Skidmore, N; Skwarnicki, T; Smith, N A; Smith, E; Smith, E; Smith, J; Smith, M; Snoek, H; Sokoloff, M D; Soler, F J P; Soomro, F; Souza, D; De Paula, B Souza; Spaan, B; Sparkes, A; Spinella, F; Spradlin, P; Stagni, F; Stahl, S; Steinkamp, O; Stevenson, S; Stoica, S; Stone, S; Storaci, B; Stracka, S; Straticiuc, M; Straumann, U; Stroili, R; Subbiah, V K; Sun, L; Sutcliffe, W; Swientek, S; Syropoulos, V; Szczekowski, M; Szczypka, P; Szilard, D; Szumlak, T; T'Jampens, S; Teklishyn, M; Tellarini, G; Teodorescu, E; Teubert, F; Thomas, C; Thomas, E; van Tilburg, J; Tisserand, V; Tobin, M; Tolk, S; Tomassetti, L; Tonelli, D; Topp-Joergensen, S; Torr, N; Tournefier, E; Tourneur, S; Tran, M T; Tresch, M; Tsaregorodtsev, A; Tsopelas, P; Tuning, N; Ubeda Garcia, M; Ukleja, A; Ustyuzhanin, A; Uwer, U; Vagnoni, V; Valenti, G; Vallier, A; Vazquez Gomez, R; Vazquez Regueiro, P; Vázquez Sierra, C; Vecchi, S; Velthuis, J J; Veltri, M; Veneziano, G; Vesterinen, M; Viaud, B; Vieira, D; Vilasis-Cardona, X; Vollhardt, A; Volyanskyy, D; Voong, D; Vorobyev, A; Vorobyev, V; Voß, C; Voss, H; de Vries, J A; Waldi, R; Wallace, C; Wallace, R; Wandernoth, S; Wang, J; Ward, D R; Watson, N K; Webber, A D; Websdale, D; Whitehead, M; Wicht, J; Wiechczynski, J; Wiedner, D; Wiggers, L; Wilkinson, G; Williams, M P; Williams, M; Wilson, F F; Wimberley, J; Wishahi, J; Wislicki, W; Witek, M; Wormser, G; Wotton, S A; Wright, S; Wu, S; Wyllie, K; Xie, Y; Xing, Z; Yang, Z; Yuan, X; Yushchenko, O; Zangoli, M; Zavertyaev, M; Zhang, F; Zhang, L; Zhang, W C; Zhang, Y; Zhelezov, A; Zhokhov, A; Zhong, L; Zvyagin, A

    Charged particle multiplicities are studied in proton-proton collisions in the forward region at a centre-of-mass energy of [Formula: see text]TeV with data collected by the LHCb detector. The forward spectrometer allows access to a kinematic range of [Formula: see text] in pseudorapidity, momenta greater than [Formula: see text] and transverse momenta greater than [Formula: see text]. The measurements are performed using events with at least one charged particle in the kinematic acceptance. The results are presented as functions of pseudorapidity and transverse momentum and are compared to predictions from several Monte Carlo event generators.

  11. VIS/NIR absorption spectra of positively charged oligo(phenylenevinylene)s and comparison with time-dependent density functional theory calculations

    NARCIS (Netherlands)

    Fratiloiu, S; Candeias, LP; Grozema, FC; Wildeman, J; Siebbeles, LDA

    2004-01-01

    A combined experimental and theoretical study of the optical properties of positively charged unsubstituted and dialkoxy-substituted phenylenevinylene (PV) oligomers in solution is presented. Cations of PV oligomers were produced by irradiation of a solution with high-energy electron pulses. The

  12. Electronic hole transfer in rutile and anatase TiO2: Effect of a delocalization error in the density functional theory on the charge transfer barrier height

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Rossmeisl, Jan; Jacobsen, Karsten Wedel

    2011-01-01

    where charge localization is strongly coupled to lattice distortion. As an example we calculate the adiabatic PES for the hole transfer process in rutile and anatase TiO2. (Semi) local DFT leads to qualitatively wrong, barrierless curves. Removal of the nonlinearity improves the PES shape and allows us...

  13. Wave-vector-dependent electron-phonon coupling and the charge-density-wave transition in TbTe3

    Energy Technology Data Exchange (ETDEWEB)

    Maschek, M.; Rosenkranz, S.; Heid, R.; Said, A. H.; Giraldo-Gallo, P.; Fisher, I. R.; Weber, F.

    2015-06-01

    We present a high-energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave (CDW) system TbTe3. We analyze our data based on lattice dynamical calculations using density-functional-perturbation theory and find clear evidence that strongly momentum-dependent electron-phonon coupling defines the periodicity of the CDW superstructure: Our experiment reveals strong phonon softening and increased phonon linewidths over a large part in reciprocal space adjacent to the CDW ordering vector q(CDW) = (0,0,0.3). Further, q(CDW) is clearly offset from the wave vector of (weak) Fermi surface nesting q(FS) = (0,0,0.25), and our detailed analysis indicates that electron-phonon coupling is responsible for this shift. Hence, we can add TbTe3, which was previously considered as a canonical CDW compound following the Peierls scenario, to the list of distinct charge-density-wave materials characterized by momentum-dependent electron-phonon coupling.

  14. Charge Density Wave in the New Polymorphs of RE 2 Ru 3 Ge 5 ( RE = Pr, Sm, Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud’ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.

    2017-02-16

    A new polymorph of the RE2Ru3Ge5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc2Fe3Si5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge density wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm2Ru3Ge5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (TCDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.

  15. Measurement of charged particle multiplicities and densities in $pp$ collisions at $\\sqrt{s}$ = 7 TeV in the forward region

    CERN Document Server

    Aaij, Roel; Adinolfi, Marco; Affolder, Anthony; Ajaltouni, Ziad; Albrecht, Johannes; Alessio, Federico; Alexander, Michael; Ali, Suvayu; Alkhazov, Georgy; Alvarez Cartelle, Paula; Alves Jr, Antonio; Amato, Sandra; Amerio, Silvia; Amhis, Yasmine; Anderlini, Lucio; Anderson, Jonathan; Andreassen, Rolf; Andreotti, Mirco; Andrews, Jason; Appleby, Robert; Aquines Gutierrez, Osvaldo; Archilli, Flavio; Artamonov, Alexander; Artuso, Marina; Aslanides, Elie; Auriemma, Giulio; Baalouch, Marouen; Bachmann, Sebastian; Back, John; Badalov, Alexey; Balagura, Vladislav; Baldini, Wander; Barlow, Roger; Barschel, Colin; Barsuk, Sergey; Barter, William; Batozskaya, Varvara; Bauer, Thomas; Bay, Aurelio; Beddow, John; Bedeschi, Franco; Bediaga, Ignacio; Belogurov, Sergey; Belous, Konstantin; Belyaev, Ivan; Ben-Haim, Eli; Bencivenni, Giovanni; Benson, Sean; Benton, Jack; Berezhnoy, Alexander; Bernet, Roland; Bettler, Marc-Olivier; van Beuzekom, Martinus; Bien, Alexander; Bifani, Simone; Bird, Thomas; Bizzeti, Andrea; Bjørnstad, Pål Marius; Blake, Thomas; Blanc, Frédéric; Blouw, Johan; Blusk, Steven; Bocci, Valerio; Bondar, Alexander; Bondar, Nikolay; Bonivento, Walter; Borghi, Silvia; Borgia, Alessandra; Borsato, Martino; Bowcock, Themistocles; Bowen, Espen Eie; Bozzi, Concezio; Brambach, Tobias; van den Brand, Johannes; Bressieux, Joël; Brett, David; Britsch, Markward; Britton, Thomas; Brook, Nicholas; Brown, Henry; Bursche, Albert; Busetto, Giovanni; Buytaert, Jan; Cadeddu, Sandro; Calabrese, Roberto; Callot, Olivier; Calvi, Marta; Calvo Gomez, Miriam; Camboni, Alessandro; Campana, Pierluigi; Campora Perez, Daniel; Carbone, Angelo; Carboni, Giovanni; Cardinale, Roberta; Cardini, Alessandro; Carranza-Mejia, Hector; Carson, Laurence; Carvalho Akiba, Kazuyoshi; Casse, Gianluigi; Cassina, Lorenzo; Castillo Garcia, Lucia; Cattaneo, Marco; Cauet, Christophe; Cenci, Riccardo; Charles, Matthew; Charpentier, Philippe; Cheung, Shu-Faye; Chiapolini, Nicola; Chrzaszcz, Marcin; Ciba, Krzystof; Cid Vidal, Xabier; Ciezarek, Gregory; Clarke, Peter; Clemencic, Marco; Cliff, Harry; Closier, Joel; Coca, Cornelia; Coco, Victor; Cogan, Julien; Cogneras, Eric; Collins, Paula; Comerma-Montells, Albert; Contu, Andrea; Cook, Andrew; Coombes, Matthew; Coquereau, Samuel; Corti, Gloria; Counts, Ian; Couturier, Benjamin; Cowan, Greig; Craik, Daniel Charles; Cruz Torres, Melissa Maria; Cunliffe, Samuel; Currie, Robert; D'Ambrosio, Carmelo; Dalseno, Jeremy; David, Pascal; David, Pieter; Davis, Adam; De Bonis, Isabelle; De Bruyn, Kristof; De Capua, Stefano; De Cian, Michel; De Miranda, Jussara; De Paula, Leandro; De Silva, Weeraddana; De Simone, Patrizia; Decamp, Daniel; Deckenhoff, Mirko; Del Buono, Luigi; Déléage, Nicolas; Derkach, Denis; Deschamps, Olivier; Dettori, Francesco; Di Canto, Angelo; Dijkstra, Hans; Donleavy, Stephanie; Dordei, Francesca; Dorigo, Mirco; Dorosz, Piotr; Dosil Suárez, Alvaro; Dossett, David; Dovbnya, Anatoliy; Dupertuis, Frederic; Durante, Paolo; Dzhelyadin, Rustem; Dziurda, Agnieszka; Dzyuba, Alexey; Easo, Sajan; Egede, Ulrik; Egorychev, Victor; Eidelman, Semen; Eisenhardt, Stephan; Eitschberger, Ulrich; Ekelhof, Robert; Eklund, Lars; El Rifai, Ibrahim; Elsasser, Christian; Esen, Sevda; Falabella, Antonio; Färber, Christian; Farinelli, Chiara; Farry, Stephen; Ferguson, Dianne; Fernandez Albor, Victor; Ferreira Rodrigues, Fernando; Ferro-Luzzi, Massimiliano; Filippov, Sergey; Fiore, Marco; Fiorini, Massimiliano; Fitzpatrick, Conor; Fontana, Marianna; Fontanelli, Flavio; Forty, Roger; Francisco, Oscar; Frank, Markus; Frei, Christoph; Frosini, Maddalena; Fu, Jinlin; Furfaro, Emiliano; Gallas Torreira, Abraham; Galli, Domenico; Gandelman, Miriam; Gandini, Paolo; Gao, Yuanning; Garofoli, Justin; Garra Tico, Jordi; Garrido, Lluis; Gaspar, Clara; Gauld, Rhorry; Gavardi, Laura; Gersabeck, Evelina; Gersabeck, Marco; Gershon, Timothy; Ghez, Philippe; Gianelle, Alessio; Giani', Sebastiana; Gibson, Valerie; Giubega, Lavinia-Helena; Gligorov, Vladimir; Göbel, Carla; Golubkov, Dmitry; Golutvin, Andrey; Gomes, Alvaro; Gordon, Hamish; Grabalosa Gándara, Marc; Graciani Diaz, Ricardo; Granado Cardoso, Luis Alberto; Graugés, Eugeni; Graziani, Giacomo; Grecu, Alexandru; Greening, Edward; Gregson, Sam; Griffith, Peter; Grillo, Lucia; Grünberg, Oliver; Gui, Bin; Gushchin, Evgeny; Guz, Yury; Gys, Thierry; Hadjivasiliou, Christos; Haefeli, Guido; Haen, Christophe; Hafkenscheid, Tom; Haines, Susan; Hall, Samuel; Hamilton, Brian; Hampson, Thomas; Hansmann-Menzemer, Stephanie; Harnew, Neville; Harnew, Samuel; Harrison, Jonathan; Hartmann, Thomas; He, Jibo; Head, Timothy; Heijne, Veerle; Hennessy, Karol; Henrard, Pierre; Henry, Louis; Hernando Morata, Jose Angel; van Herwijnen, Eric; Heß, Miriam; Hicheur, Adlène; Hill, Donal; Hoballah, Mostafa; Hombach, Christoph; Hulsbergen, Wouter; Hunt, Philip; Hussain, Nazim; Hutchcroft, David; Hynds, Daniel; Iakovenko, Viktor; Idzik, Marek; Ilten, Philip; Jacobsson, Richard; Jaeger, Andreas; Jans, Eddy; Jaton, Pierre; Jawahery, Abolhassan; Jing, Fanfan; John, Malcolm; Johnson, Daniel; Jones, Christopher; Joram, Christian; Jost, Beat; Jurik, Nathan; Kaballo, Michael; Kandybei, Sergii; Kanso, Wallaa; Karacson, Matthias; Karbach, Moritz; Kelsey, Matthew; Kenyon, Ian; Ketel, Tjeerd; Khanji, Basem; Khurewathanakul, Chitsanu; Klaver, Suzanne; Kochebina, Olga; Komarov, Ilya; Koopman, Rose; Koppenburg, Patrick; Korolev, Mikhail; Kozlinskiy, Alexandr; Kravchuk, Leonid; Kreplin, Katharina; Kreps, Michal; Krocker, Georg; Krokovny, Pavel; Kruse, Florian; Kucharczyk, Marcin; Kudryavtsev, Vasily; Kurek, Krzysztof; Kvaratskheliya, Tengiz; La Thi, Viet Nga; Lacarrere, Daniel; Lafferty, George; Lai, Adriano; Lambert, Dean; Lambert, Robert W; Lanciotti, Elisa; Lanfranchi, Gaia; Langenbruch, Christoph; Latham, Thomas; Lazzeroni, Cristina; Le Gac, Renaud; van Leerdam, Jeroen; Lees, Jean-Pierre; Lefèvre, Regis; Leflat, Alexander; Lefrançois, Jacques; Leo, Sabato; Leroy, Olivier; Lesiak, Tadeusz; Leverington, Blake; Li, Yiming; Liles, Myfanwy; Lindner, Rolf; Linn, Christian; Lionetto, Federica; Liu, Bo; Liu, Guoming; Lohn, Stefan; Longstaff, Ian; Lopes, Jose; Lopez-March, Neus; Lowdon, Peter; Lu, Haiting; Lucchesi, Donatella; Luisier, Johan; Luo, Haofei; Luppi, Eleonora; Lupton, Oliver; Machefert, Frederic; Machikhiliyan, Irina V; Maciuc, Florin; Maev, Oleg; Malde, Sneha; Manca, Giulia; Mancinelli, Giampiero; Manzali, Matteo; Maratas, Jan; Marconi, Umberto; Marino, Pietro; Märki, Raphael; Marks, Jörg; Martellotti, Giuseppe; Martens, Aurelien; Martín Sánchez, Alexandra; Martinelli, Maurizio; Martinez Santos, Diego; Martinez Vidal, Fernando; Martins Tostes, Danielle; Massafferri, André; Matev, Rosen; Mathe, Zoltan; Matteuzzi, Clara; Mazurov, Alexander; McCann, Michael; McCarthy, James; McNab, Andrew; McNulty, Ronan; McSkelly, Ben; Meadows, Brian; Meier, Frank; Meissner, Marco; Merk, Marcel; Milanes, Diego Alejandro; Minard, Marie-Noelle; Molina Rodriguez, Josue; Monteil, Stephane; Moran, Dermot; Morandin, Mauro; Morawski, Piotr; Mordà, Alessandro; Morello, Michael Joseph; Mountain, Raymond; Muheim, Franz; Müller, Katharina; Muresan, Raluca; Muryn, Bogdan; Muster, Bastien; Naik, Paras; Nakada, Tatsuya; Nandakumar, Raja; Nasteva, Irina; Needham, Matthew; Neri, Nicola; Neubert, Sebastian; Neufeld, Niko; Nguyen, Anh Duc; Nguyen, Thi-Dung; Nguyen-Mau, Chung; Nicol, Michelle; Niess, Valentin; Niet, Ramon; Nikitin, Nikolay; Nikodem, Thomas; Novoselov, Alexey; Oblakowska-Mucha, Agnieszka; Obraztsov, Vladimir; Oggero, Serena; Ogilvy, Stephen; Okhrimenko, Oleksandr; Oldeman, Rudolf; Onderwater, Gerco; Orlandea, Marius; Otalora Goicochea, Juan Martin; Owen, Patrick; Oyanguren, Maria Arantza; Pal, Bilas Kanti; Palano, Antimo; Palombo, Fernando; Palutan, Matteo; Panman, Jacob; Papanestis, Antonios; Pappagallo, Marco; Pappalardo, Luciano; Parkes, Christopher; Parkinson, Christopher John; Passaleva, Giovanni; Patel, Girish; Patel, Mitesh; Patrignani, Claudia; Pavel-Nicorescu, Carmen; Pazos Alvarez, Antonio; Pearce, Alex; Pellegrino, Antonio; Penso, Gianni; Pepe Altarelli, Monica; Perazzini, Stefano; Perez Trigo, Eliseo; Perret, Pascal; Perrin-Terrin, Mathieu; Pescatore, Luca; Pesen, Erhan; Pessina, Gianluigi; Petridis, Konstantin; Petrolini, Alessandro; Picatoste Olloqui, Eduardo; Pietrzyk, Boleslaw; Pilař, Tomas; Pinci, Davide; Pistone, Alessandro; Playfer, Stephen; Plo Casasus, Maximo; Polci, Francesco; Polok, Grzegorz; Poluektov, Anton; Polycarpo, Erica; Popov, Alexander; Popov, Dmitry; Popovici, Bogdan; Potterat, Cédric; Powell, Andrew; Prisciandaro, Jessica; Pritchard, Adrian; Prouve, Claire; Pugatch, Valery; Puig Navarro, Albert; Punzi, Giovanni; Qian, Wenbin; Rachwal, Bartolomiej; Rademacker, Jonas; Rakotomiaramanana, Barinjaka; Rama, Matteo; Rangel, Murilo; Raniuk, Iurii; Rauschmayr, Nathalie; Raven, Gerhard; Redford, Sophie; Reichert, Stefanie; Reid, Matthew; dos Reis, Alberto; Ricciardi, Stefania; Richards, Alexander; Rinnert, Kurt; Rives Molina, Vincente; Roa Romero, Diego; Robbe, Patrick; Roberts, Douglas; Rodrigues, Ana Barbara; Rodrigues, Eduardo; Rodriguez Perez, Pablo; Roiser, Stefan; Romanovsky, Vladimir; Romero Vidal, Antonio; Rotondo, Marcello; Rouvinet, Julien; Ruf, Thomas; Ruffini, Fabrizio; Ruiz, Hugo; Ruiz Valls, Pablo; Sabatino, Giovanni; Saborido Silva, Juan Jose; Sagidova, Naylya; Sail, Paul; Saitta, Biagio; Salustino Guimaraes, Valdir; Sanmartin Sedes, Brais; Santacesaria, Roberta; Santamarina Rios, Cibran; Santovetti, Emanuele; Sapunov, Matvey; Sarti, Alessio; Satriano, Celestina; Satta, Alessia; Savrie, Mauro; Savrina, Darya; Schiller, Manuel; Schindler, Heinrich; Schlupp, Maximilian; Schmelling, Michael; Schmidt, Burkhard; Schneider, Olivier; Schopper, Andreas; Schune, Marie Helene; Schwemmer, Rainer; Sciascia, Barbara; Sciubba, Adalberto; Seco, Marcos; Semennikov, Alexander; Senderowska, Katarzyna; Sepp, Indrek; Serra, Nicola; Serrano, Justine; Seyfert, Paul; Shapkin, Mikhail; Shapoval, Illya; Shcheglov, Yury; Shears, Tara; Shekhtman, Lev; Shevchenko, Oksana; Shevchenko, Vladimir; Shires, Alexander; Silva Coutinho, Rafael; Simi, Gabriele; Sirendi, Marek; Skidmore, Nicola; Skwarnicki, Tomasz; Smith, Anthony; Smith, Edmund; Smith, Eluned; Smith, Jackson; Smith, Mark; Snoek, Hella; Sokoloff, Michael; Soler, Paul; Soomro, Fatima; Souza, Daniel; Souza De Paula, Bruno; Spaan, Bernhard; Sparkes, Ailsa; Spinella, Franco; Spradlin, Patrick; Stagni, Federico; Stahl, Sascha; Steinkamp, Olaf; Stevenson, Scott; Stoica, Sabin; Stone, Sheldon; Storaci, Barbara; Stracka, Simone; Straticiuc, Mihai; Straumann, Ulrich; Stroili, Roberto; Subbiah, Vijay Kartik; Sun, Liang; Sutcliffe, William; Swientek, Stefan; Syropoulos, Vasileios; Szczekowski, Marek; Szczypka, Paul; Szilard, Daniela; Szumlak, Tomasz; T'Jampens, Stephane; Teklishyn, Maksym; Tellarini, Giulia; Teodorescu, Eliza; Teubert, Frederic; Thomas, Christopher; Thomas, Eric; van Tilburg, Jeroen; Tisserand, Vincent; Tobin, Mark; Tolk, Siim; Tomassetti, Luca; Tonelli, Diego; Topp-Joergensen, Stig; Torr, Nicholas; Tournefier, Edwige; Tourneur, Stephane; Tran, Minh Tâm; Tresch, Marco; Tsaregorodtsev, Andrei; Tsopelas, Panagiotis; Tuning, Niels; Ubeda Garcia, Mario; Ukleja, Artur; Ustyuzhanin, Andrey; Uwer, Ulrich; Vagnoni, Vincenzo; Valenti, Giovanni; Vallier, Alexis; Vazquez Gomez, Ricardo; Vazquez Regueiro, Pablo; Vázquez Sierra, Carlos; Vecchi, Stefania; Velthuis, Jaap; Veltri, Michele; Veneziano, Giovanni; Vesterinen, Mika; Viaud, Benoit; Vieira, Daniel; Vilasis-Cardona, Xavier; Vollhardt, Achim; Volyanskyy, Dmytro; Voong, David; Vorobyev, Alexey; Vorobyev, Vitaly; Voß, Christian; Voss, Helge; de Vries, Jacco; Waldi, Roland; Wallace, Charlotte; Wallace, Ronan; Wandernoth, Sebastian; Wang, Jianchun; Ward, David; Watson, Nigel; Webber, Adam Dane; Websdale, David; Whitehead, Mark; Wicht, Jean; Wiechczynski, Jaroslaw; Wiedner, Dirk; Wiggers, Leo; Wilkinson, Guy; Williams, Matthew; Williams, Mike; Wilson, Fergus; Wimberley, Jack; Wishahi, Julian; Wislicki, Wojciech; Witek, Mariusz; Wormser, Guy; Wotton, Stephen; Wright, Simon; Wu, Suzhi; Wyllie, Kenneth; Xie, Yuehong; Xing, Zhou; Yang, Zhenwei; Yuan, Xuhao; Yushchenko, Oleg; Zangoli, Maria; Zavertyaev, Mikhail; Zhang, Feng; Zhang, Liming; Zhang, Wen Chao; Zhang, Yanxi; Zhelezov, Alexey; Zhokhov, Anatoly; Zhong, Liang; Zvyagin, Alexander

    2014-01-01

    Charged particle multiplicities are studied in proton-proton collisions in the forward region at a centre-of-mass energy of $\\sqrt{s} = 7\\;$TeV with data collected in 2010 by the LHCb detector. The forward spectrometer allows access to a kinematic range of $2.0<\\eta<4.8$ in pseudorapidity, momenta down to $2\\;$GeV/$c$ and transverse momenta down to $0.2\\;$GeV/$c$. The measurements are performed using minimum-bias events with at least one charged particle in the kinematic acceptance. The results are presented as functions of pseudorapidity and transverse momentum and are compared to predictions from several Monte Carlo event generators.

  16. J/$\\psi$ production as a function of charged-particle pseudorapidity density in p-Pb collisions at $\\sqrt{s_{\\rm NN}} = 5.02$ TeV

    OpenAIRE

    Adamová, D.; Aggarwal, Madan Mohan; Alam, Sk Noor; Biswas, Rathijit; Zardoshti, Nima; Zarochentsev, Andrey; Zavada, Petr; Zavyalov, Nikolay; Zbroszczyk, Hanna Paulina; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhang, Yonghong; Chunhui, Zhang; Biswas, Saikat

    2018-01-01

    We report measurements of the inclusive J/ ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dNch/dη in p–Pb collisions at sNN=5.02TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ ψ yield with normalised dNch/dη , measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative y...

  17. Crystal Structure, Conformational Analysis, and Charge Density Distribution for Eng-Epifisetinidol: An Explanation for Regiospecific Aromatic Substitution of 5-Deoxyflavan

    Science.gov (United States)

    Fred L. Tobiason; Frank R. Fronczek; Jan P. Steynberg; Elizabeth C. Steynberg; Richard W. Hemingway; Wayne L. Mattice

    1993-01-01

    Molecular modeling and molecular orbital analyses of ent-epifisetinidol gave &ood predictions of the approximate "reverse half-chair" conformation found for the crystal structure. MNDO and AM1 analyses of HOMO electron densities provided an explanation for the stereospecific electrophilic aromatic substitution at C(6) in 5-deoxy-flavans...

  18. Critical Doping for the Onset of Fermi-Surface Reconstruction by Charge-Density-Wave Order in the Cuprate Superconductor La_{2-x}Sr_{x}CuO_{4}

    Directory of Open Access Journals (Sweden)

    S. Badoux

    2016-04-01

    Full Text Available The Seebeck coefficient S of the cuprate superconductor La_{2-x}Sr_{x}CuO_{4} (LSCO was measured in magnetic fields large enough to access the normal state at low temperatures, for a range of Sr concentrations from x=0.07 to x=0.15. For x=0.11, 0.12, 0.125, and 0.13, S/T decreases upon cooling to become negative at low temperatures. The same behavior is observed in the Hall coefficient R_{H}(T. In analogy with other hole-doped cuprates at similar hole concentrations p, the negative S and R_{H} show that the Fermi surface of LSCO undergoes a reconstruction caused by the onset of charge-density-wave modulations. Such modulations have indeed been detected in LSCO by x-ray diffraction in precisely the same doping range. Our data show that in LSCO this Fermi-surface reconstruction is confined to 0.085charge-density-wave order ends at a critical doping p_{CDW}=0.15±0.005, well below the pseudogap critical doping p^{⋆}≃0.19.

  19. Charge density analysis of SiO sub 2 under pressures over 50 GPa using a new diamond anvil cell for single-crystal structure analysis

    CERN Document Server

    Yamanaka, T; Komatsu, Y; Sumiya, H

    2002-01-01

    Single-crystal structure analysis of SiO sub 2 stishovite, (rutile type, P4 sub 2 /mnm z = 2) was carried out using the newly devised diamond anvil cell. The electron-density distribution was investigated at high pressures up to 50 GPa using synchrotron radiation at SPring-8 and a laboratory x-ray source generator of Ag K alpha rotating anode generator. Using large diamond crystal windows instead of beryllium for the cell has several advantages for single-crystal diffraction study supplying the large Q-value.

  20. First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Azam, Sikander, E-mail: sikander.physicst@gmail.com [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic)

    2014-02-15

    The electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals are studied. The calculations are based on the full potential-linearized augmented plane wave (FPLAPW) method. The exchange and correlation potential is treated by the local density approximation (LDA) and generalized-gradient approximation (GGA), in addition the Engel–Vosko (EV-GGA) formalism was also applied. The DFT calculations show that these compounds have metallic origin. The contribution of different bands was analyzed from total and partial density of states curves. The values of the density of states at Fermi energy (N(E{sub F})) for ThCu{sub 5}In (ThCu{sub 5}Sn) is 1.75 (1.63) states/eV unit cell. The bare electronic specific heat coefficient (γ) is found to be equal to 0.30 and 0.28 mJ/mol-K{sup 2} for ThCu{sub 5}In and ThCu{sub 5}Sn, respectively. The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction. The bonding features are analyzed by using the electronic charge density contour in the (101) crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. The optical properties were also calculated and analyzed. - Highlights: • The DFT-FPLAPW method used for calculating the properties of ThCu{sub 5}In and ThCu{sub 5}Sn compounds. • This study shows that the nature of the two compounds is metallic. • Crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. • The optical properties were also calculated and analyzed. • The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction.

  1. Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra.

    Science.gov (United States)

    Hine, N D M; Haynes, P D; Mostofi, A A; Payne, M C

    2010-09-21

    We present calculations of formation energies of defects in an ionic solid (Al(2)O(3)) extrapolated to the dilute limit, corresponding to a simulation cell of infinite size. The large-scale calculations required for this extrapolation are enabled by developments in the approach to parallel sparse matrix algebra operations, which are central to linear-scaling density-functional theory calculations. The computational cost of manipulating sparse matrices, whose sizes are determined by the large number of basis functions present, is greatly improved with this new approach. We present details of the sparse algebra scheme implemented in the ONETEP code using hierarchical sparsity patterns, and demonstrate its use in calculations on a wide range of systems, involving thousands of atoms on hundreds to thousands of parallel processes.

  2. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

    20 years ago fractional charges were imagined to explain values of conductivity in some materials. Recent experiments have proved the existence of charges whose value is the third of the electron charge. This article presents the experimental facts that have led theorists to predict the existence of fractional charges from the motion of quasi-particles in a linear chain of poly-acetylene to the quantum Hall effect. According to the latest theories, fractional charges are neither bosons nor fermions but anyons, they are submitted to an exclusive principle that is less stringent than that for fermions. (A.C.)

  3. First proton-proton collisions at the LHC as observed with the ALICE detector: measurement of the charged-particle pseudorapidity density at sqrt{s}=900 GeV

    Science.gov (United States)

    Aamodt, K.; Abel, N.; Abeysekara, U.; Abrahantes Quintana, A.; Acero, A.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agocs, A. G.; Aguilar Salazar, S.; Ahammed, Z.; Ahmad, A.; Ahmad, N.; Ahn, S. U.; Akimoto, R.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alfaro Molina, R.; Alici, A.; Almaráz Aviña, E.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Andrei, C.; Andronic, A.; Anelli, G.; Angelov, V.; Anson, C.; Antičić, T.; Antinori, F.; Antinori, S.; Antipin, K.; Antończyk, D.; Antonioli, P.; Anzo, A.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arceo, R.; Arend, A.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Asryan, A.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Äystö, J.; Azmi, M. D.; Bablok, S.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baldit, A.; Bán, J.; Barbera, R.; Barnaföldi, G. G.; Barnby, L.; Barret, V.; Bartke, J.; Barile, F.; Basile, M.; Basmanov, V.; Bastid, N.; Bathen, B.; Batigne, G.; Batyunya, B.; Baumann, C.; Bearden, I. G.; Becker, B.; Belikov, I.; Bellwied, R.; Belmont-Moreno, E.; Belogianni, A.; Benhabib, L.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdermann, E.; Berdnikov, Y.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bimbot, L.; Biolcati, E.; Blanc, A.; Blanco, F.; Blanco, F.; Blau, D.; Blume, C.; Boccioli, M.; Bock, N.; Bøgdanov, A.; Bøggild, H.; Bogolyubsky, M.; Bohm, J.; Boldizsár, L.; Bombara, M.; Bombonati, C.; Bondila, M.; Borel, H.; Borshchov, V.; Bortolin, C.; Bose, S.; Bosisio, L.; Bossú, F.; Botje, M.; Böttger, S.; Bourdaud, G.; Boyer, B.; Braun, M.; Braun-Munzinger, P.; Bravina, L.; Bregant, M.; Breitner, T.; Bruckner, G.; Brun, R.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bugaev, K.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Camacho, E.; Camerini, P.; Campbell, M.; Canoa Roman, V.; Capitani, G. P.; Cara Romeo, G.; Carena, F.; Carena, W.; Carminati, F.; Casanova Díaz, A.; Caselle, M.; Castillo Castellanos, J.; Castillo Hernandez, J. F.; Catanescu, V.; Cattaruzza, E.; Cavicchioli, C.; Cerello, P.; Chambert, V.; Chang, B.; Chapeland, S.; Charpy, A.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chiavassa, E.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chuman, F.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Cobanoglu, O.; Coffin, J.-P.; Coli, S.; Colla, A.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Conner, E. S.; Constantin, P.; Contin, G.; Contreras, J. G.; Corrales Morales, Y.; Cormier, T. M.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Cotallo, M. E.; Crescio, E.; Crochet, P.; Cuautle, E.; Cunqueiro, L.; Cussonneau, J.; Dainese, A.; Dalsgaard, H. H.; Danu, A.; Das, I.; Das, S.; Dash, A.; Dash, S.; de Barros, G. O. V.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gaspari, M.; de Groot, J.; de Gruttola, D.; de Haas, A. P.; de Marco, N.; de Rooij, R.; de Pasquale, S.; de Vaux, G.; Delagrange, H.; Dellacasa, G.; Deloff, A.; Demanov, V.; Dénes, E.; Deppman, A.; D'Erasmo, G.; Derkach, D.; Devaux, A.; di Bari, D.; di Giglio, C.; di Liberto, S.; di Mauro, A.; di Nezza, P.; Dialinas, M.; Díaz, L.; Díaz, R.; Dietel, T.; Ding, H.; Divià, R.; Djuvsland, Ø.; Do Amaral Valdiviesso, G.; Dobretsov, V.; Dobrin, A.; Dobrowolski, T.; Dönigus, B.; Domínguez, I.; Don, D. M. M.; Dordic, O.; Dubey, A. K.; Dubuisson, J.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; Dutta Majumdar, M. R.; Elia, D.; Emschermann, D.; Enokizono, A.; Espagnon, B.; Estienne, M.; Evans, D.; Evrard, S.; Eyyubova, G.; Fabjan, C. W.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fearick, R.; Fedunov, A.; Fehlker, D.; Fekete, V.; Felea, D.; Fenton-Olsen, B.; Feofilov, G.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Ferretti, R.; Figueredo, M. A. S.; Filchagin, S.; Fini, R.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Fodor, Z.; Foertsch, S.; Foka, P.; Fokin, S.; Formenti, F.; Fragiacomo, E.; Fragkiadakis, M.; Frankenfeld, U.; Frolov, A.; Fuchs, U.; Furano, F.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gadrat, S.; Gagliardi, M.; Gago, A.; Gallio, M.; Ganoti, P.; Ganti, M. S.; Garabatos, C.; Garc, C.; Gebelein, J.; Gemme, R.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Giraudo, G.; Giubellino, P.; Gladysz-Dziadus, E.; Glasow, R.; Glässel, P.; Glenn, A.; Gomez, R.; González Santos, H.; González-Trueba, L. H.; González-Zamora, P.; Gorbunov, S.; Gorbunov, Y.; Gotovac, S.; Gottschlag, H.; Grabski, V.; Grajcarek, R.

    2010-01-01

    On 23rd November 2009, during the early commissioning of the CERN Large Hadron Collider (LHC), two counter-rotating proton bunches were circulated for the first time concurrently in the machine, at the LHC injection energy of 450 GeV per beam. Although the proton intensity was very low, with only one pilot bunch per beam, and no systematic attempt was made to optimize the collision optics, all LHC experiments reported a number of collision candidates. In the ALICE experiment, the collision region was centred very well in both the longitudinal and transverse directions and 284 events were recorded in coincidence with the two passing proton bunches. The events were immediately reconstructed and analyzed both online and offline. We have used these events to measure the pseudorapidity density of charged primary particles in the central region. In the range | η|LHC accelerator, and of both the hardware and software of the ALICE experiment, in this early start-up phase.

  4. Understanding the site selectivity in small-sized neutral and charged Al(n) (4 ≤ N ≤ 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption.

    Science.gov (United States)

    Das, Susanta; Pal, Sourav; Krishnamurty, Sailaja

    2013-09-12

    Aluminum clusters are now technologically important due to their high catalytic activity. Our present study on the small-sized aluminum clusters applies density functional theory (DFT)-based reactivity descriptors to identify potential sites for adsorption and eventual chemical reaction. Depending on symmetry, susceptibility of various type of reactive sites within a cluster toward an impending electrophilic and/or nucleophilic attack is predicted using the reactivity descriptors. In addition, the study devises general rules as to how the size, shape, and charge of the cluster influences the number of available sites for an electrophilic and/or nucleophilic attack. The predictions by reactivity descriptors are validated by performing an explicit adsorption of water molecule on Al clusters with four atoms. The adsorption studies demonstrate that the most stable water-cluster complex is obtained when the molecule is adsorbed through an oxygen atom on the site with the highest relative electrophilicity.

  5. Sliding charge density wave in the monophosphate tungsten bronze (PO2)4(WO3)2m with alternate stacking of m=4 and m=6 WO3 layers

    International Nuclear Information System (INIS)

    Foury-Leylekian, P.; Sandre, E.; Ravy, S.; Pouget, J.-P.; Elkaim, E.; Roussel, P.; Groult, D.; Labbe, Ph.

    2002-01-01

    The monophosphate tungsten bronzes (PO 2 ) 4 (WO 3 ) 2m form family of two-dimensional metals which exhibit charge density wave (CDW) instabilities. These materials are generally built by the regular stacking of (a,b) layers in which chains made of segments of m WO 6 octahedra directed along the a and a±b directions are delimited. Their electronic structure thus originates from quasi-one-dimensional (1D) bands located on these chains. As a consequence their Fermi surface (FS) exhibits large flat portions whose nesting gives rise to successive CDW instabilities. Here we present a structural study of the CDW instability of the (PO 2 ) 4 (WO 3 ) 10 member formed by the alternate stacking of layers built with segments of m=4 and m=6 WO 6 octahedra. Its ab initio electronic structure calculation shows that the FS of this member exhibits large flat portions which can be extremely well nested. Its best nesting wave vector accounts for the modulation wave vector stabilized by the CDW transition which occurs at 156 K. Because of the regular stacking of layers of different m values the FS is slightly split. The unusual thermal dependence of the x-ray satellite intensity provides evidence that the two types of layers become modulated at different temperature. This also leads to a slight thermal sliding of the CDW-nesting modulation wave vector, which can be accounted for within the framework of a Landau-Ginzburg theory. In addition, the observation of a global hysteresis in the thermal cycling of the satellite intensity, as well as the degradation of the interlayer order upon cooling, suggest the formation of a disordered lattice of dilute solitons. Such solitons allow to accommodate the charge transferred between the two types of layer. Finally the relevance of local charge transfers, at intergrowth defects, for example, to create pinned discommensurations that break the CDW coherence is emphasized in this whole family of bronzes

  6. Short-length and high-density TiO2 nanorod arrays for the efficient charge separation interface in perovskite solar cells

    International Nuclear Information System (INIS)

    Xiao, Guannan; Shi, Chengwu; Zhang, Zhengguo; Li, Nannan; Li, Long

    2017-01-01

    The TiO 2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm −2 were firstly prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. Over-500 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layers were successfully obtained by sequential deposition routes using 1.7 M PbI 2 ·DMSO complex precursor solution and 0.465 M isopropanol solution of the methylammonium halide mixture with the molar ratio of CH 3 NH 3 I/CH 3 NH 3 Br=85/15. The perovskite solar cells based on the TiO 2 nanorod array and 560 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93%, while the corresponding planar perovskite solar cells without the TiO 2 nanorod array and with 530 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer gave the best PCE of 12.82% at the relative humidity of 50–54%. - Graphical abstract: The TiO 2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm −2 were prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. The optimal annealing temperature of TiO 2 nanorod arrays was 450 °C. The perovskite solar cells based on the TiO 2 nanorod array and 560 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93% and the average PCE of 13.41±2.52%, while the corresponding planar perovskite solar cells without the TiO 2 nanorod array and with 530 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer gave the best PCE of 12.82% and the average PCE of 10.54±2.28% at the relative humidity of 50–54%. - Highlights: • Preparation of TiO 2 nanorod array with length of 70 nm and density of 1000 µm −2 . • Influence of annealing temperatures on the -OH content of Ti

  7. Short-length and high-density TiO{sub 2} nanorod arrays for the efficient charge separation interface in perovskite solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Guannan; Shi, Chengwu, E-mail: shicw506@foxmail.com; Zhang, Zhengguo; Li, Nannan; Li, Long

    2017-05-15

    The TiO{sub 2} nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm{sup −2} were firstly prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. Over-500 nm-thickness CH{sub 3}NH{sub 3}PbI{sub 3−x}Br{sub x} absorber layers were successfully obtained by sequential deposition routes using 1.7 M PbI{sub 2}·DMSO complex precursor solution and 0.465 M isopropanol solution of the methylammonium halide mixture with the molar ratio of CH{sub 3}NH{sub 3}I/CH{sub 3}NH{sub 3}Br=85/15. The perovskite solar cells based on the TiO{sub 2} nanorod array and 560 nm-thickness CH{sub 3}NH{sub 3}PbI{sub 3−x}Br{sub x} absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93%, while the corresponding planar perovskite solar cells without the TiO{sub 2} nanorod array and with 530 nm-thickness CH{sub 3}NH{sub 3}PbI{sub 3−x}Br{sub x} absorber layer gave the best PCE of 12.82% at the relative humidity of 50–54%. - Graphical abstract: The TiO{sub 2} nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm{sup −2} were prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. The optimal annealing temperature of TiO{sub 2} nanorod arrays was 450 °C. The perovskite solar cells based on the TiO{sub 2} nanorod array and 560 nm-thickness CH{sub 3}NH{sub 3}PbI{sub 3−x}Br{sub x} absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93% and the average PCE of 13.41±2.52%, while the corresponding planar perovskite solar cells without the TiO{sub 2} nanorod array and with 530 nm-thickness CH{sub 3}NH{sub 3}PbI{sub 3−x}Br{sub x} absorber layer gave the best PCE of 12.82% and the average PCE of 10.54±2.28% at the relative humidity of 50–54%. - Highlights:

  8. Charge oscillations in orbitrons

    International Nuclear Information System (INIS)

    Porto, M.; Gomes, L.C.

    1981-01-01

    A statistical model for the electron distribution in orbitrons is constructed where the effect of the end plates is considered. A comparison is made with the measured density of charge. The electromagnetic oscillations generated by orbitrons are calculated as pressure waves and the results obtained are compared with the data. (Author) [pt

  9. Short-length and high-density TiO2 nanorod arrays for the efficient charge separation interface in perovskite solar cells

    Science.gov (United States)

    Xiao, Guannan; Shi, Chengwu; Zhang, Zhengguo; Li, Nannan; Li, Long

    2017-05-01

    The TiO2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 μm-2 were firstly prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. Over-500 nm-thickness CH3NH3PbI3-xBrx absorber layers were successfully obtained by sequential deposition routes using 1.7 M PbI2·DMSO complex precursor solution and 0.465 M isopropanol solution of the methylammonium halide mixture with the molar ratio of CH3NH3I/CH3NH3Br=85/15. The perovskite solar cells based on the TiO2 nanorod array and 560 nm-thickness CH3NH3PbI3-xBrx absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93%, while the corresponding planar perovskite solar cells without the TiO2 nanorod array and with 530 nm-thickness CH3NH3PbI3-xBrx absorber layer gave the best PCE of 12.82% at the relative humidity of 50-54%.

  10. Space-Charge Effect

    CERN Document Server

    Chauvin, N.

    2013-12-16

    First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented.

  11. Molecular Orbital and Density Functional Study of the Formation, Charge Transfer, Bonding and the Conformational Isomerism of the Boron Trifluoride (BF3 and Ammonia (NH3 Donor-Acceptor Complex

    Directory of Open Access Journals (Sweden)

    Dulal C. Ghosh

    2004-09-01

    Full Text Available The formation of the F3B–NH3 supermolecule by chemical interaction of its fragment parts, BF3 and NH3, and the dynamics of internal rotation about the ‘B–N’ bond have been studied in terms of parameters provided by the molecular orbital and density functional theories. It is found that the pairs of frontier orbitals of the interacting fragments have matching symmetry and are involved in the charge transfer interaction. The donation process stems from the HOMO of the donor into the LUMO of the acceptor and simultaneously, back donation stems from the HOMO of acceptor into the LUMO of the donor. The density functional computation of chemical activation in the donor and acceptor fragments, associated with the physical process of structural reorganization just prior to the event of chemical reaction, indicates that BF3 becomes more acidic and NH3 becomes more basic, compared to their separate equilibrium states. Theoretically it is observed that the chemical reaction event of the formation of the supermolecule from its fragment parts is in accordance with the chemical potential equalization principle of the density functional theory and the electronegativity equalization principle of Sanderson. The energetics of the chemical reaction, the magnitude of the net charge transfer and the energy of the newly formed bond are quite consistent, both internally and with the principle of maximum hardness, PMH. The dynamics of the internal rotation of one part with respect to the other part of the supermolecule about the ‘B–N’ bond mimics the pattern of the conformational isomerism of the isostructural ethane molecule. It is also observed that the dynamics and evolution of molecular conformations as a function of dihedral angles is also in accordance with the principle of maximum hardness, PMH. Quite consistent with spectroscopic predictions, the height of the molecule

  12. Spacelike charges, null-plane charges, and mass splitting

    International Nuclear Information System (INIS)

    Gal-Ezer, E.; Horwitz, L.P.

    1976-01-01

    The properties of charges defined as integrals over tensor densities and their possible use in the treatment of broken symmetries are studied. It is well known that spacelike integrals over nonconserved densities cannot yield charge operators at a fixed sharp time. However, charge operators which are smeared in time with suitable ''adiabatic'' functions, when there is a mass gap, are well defined; these charges can give rise to a finite algebraic structure only in the infinite-momentum limit, corresponding to an algebra of null-plane charges. For the study of null-plane charges, tensor densities are divided into four classes (very good, good, bad, very bad) according to their transformation properties under the Lorentz group. We argue that in the absence of massless particles members of the first two classes are expected to yield well-defined null-plane charges, while members of the last two classes are not expected to define null-plane charges. The existence of null-plane charges for good densities depends on whether the Pomeron intercept α/sub P/(0) is less than 1 or equal to 1. Null-plane Fourier transforms (which appear in the discussion of current algebra at infinite momentum) are also considered. Null-plane charges may satisfy algebraic relations which involve the Poincare algebra. Owing to domain properties, only semialgebraic relations, which are a generalization of the usual Lie algebraic relations, can be postulated on particle states. By use of these relations, a no-go theorem of the O'Raifeartaigh type, which applies to the null-plane charges, is formulated and proved

  13. Charge preamplifier

    International Nuclear Information System (INIS)

    Chaminade, R.; Passerieux, J.P.

    1961-01-01

    We describe a charge preamplifier having the following properties: - large open loop gain giving both stable gain and large input charge transfer; - stable input grid current with aging and without any adjustment; - fairly fast rise; - nearly optimum noise performance; - industrial material. (authors)

  14. Charging machine

    International Nuclear Information System (INIS)

    Medlin, J.B.

    1976-01-01

    A charging machine for loading fuel slugs into the process tubes of a nuclear reactor includes a tubular housing connected to the process tube, a charging trough connected to the other end of the tubular housing, a device for loading the charging trough with a group of fuel slugs, means for equalizing the coolant pressure in the charging trough with the pressure in the process tubes, means for pushing the group of fuel slugs into the process tube and a latch and a seal engaging the last object in the group of fuel slugs to prevent the fuel slugs from being ejected from the process tube when the pusher is removed and to prevent pressure liquid from entering the charging machine. 3 claims, 11 drawing figures

  15. Charge orders in organic charge-transfer salts

    Science.gov (United States)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico

    2017-10-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ-(BEDT-TTF)2Cu[N(CN)2]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order.

  16. CHARGE syndrome

    Directory of Open Access Journals (Sweden)

    Prasad Chitra

    2006-09-01

    Full Text Available Abstract CHARGE syndrome was initially defined as a non-random association of anomalies (Coloboma, Heart defect, Atresia choanae, Retarded growth and development, Genital hypoplasia, Ear anomalies/deafness. In 1998, an expert group defined the major (the classical 4C's: Choanal atresia, Coloboma, Characteristic ears and Cranial nerve anomalies and minor criteria of CHARGE syndrome. Individuals with all four major characteristics or three major and three minor characteristics are highly likely to have CHARGE syndrome. However, there have been individuals genetically identified with CHARGE syndrome without the classical choanal atresia and coloboma. The reported incidence of CHARGE syndrome ranges from 0.1–1.2/10,000 and depends on professional recognition. Coloboma mainly affects the retina. Major and minor congenital heart defects (the commonest cyanotic heart defect is tetralogy of Fallot occur in 75–80% of patients. Choanal atresia may be membranous or bony; bilateral or unilateral. Mental retardation is variable with intelligence quotients (IQ ranging from normal to profound retardation. Under-development of the external genitalia is a common finding in males but it is less apparent in females. Ear abnormalities include a classical finding of unusually shaped ears and hearing loss (conductive and/or nerve deafness that ranges from mild to severe deafness. Multiple cranial nerve dysfunctions are common. A behavioral phenotype for CHARGE syndrome is emerging. Mutations in the CHD7 gene (member of the chromodomain helicase DNA protein family are detected in over 75% of patients with CHARGE syndrome. Children with CHARGE syndrome require intensive medical management as well as numerous surgical interventions. They also need multidisciplinary follow up. Some of the hidden issues of CHARGE syndrome are often forgotten, one being the feeding adaptation of these children, which needs an early aggressive approach from a feeding team. As the child

  17. Finite-temperature coupled-cluster, many-body perturbation, and restricted and unrestricted Hartree-Fock study on one-dimensional solids: Luttinger liquids, Peierls transitions, and spin- and charge-density waves.

    Science.gov (United States)

    Hermes, Matthew R; Hirata, So

    2015-09-14

    One-dimensional (1D) solids exhibit a number of striking electronic structures including charge-density wave (CDW) and spin-density wave (SDW). Also, the Peierls theorem states that at zero temperature, a 1D system predicted by simple band theory to be a metal will spontaneously dimerize and open a finite fundamental bandgap, while at higher temperatures, it will assume the equidistant geometry with zero bandgap (a Peierls transition). We computationally study these unique electronic structures and transition in polyyne and all-trans polyacetylene using finite-temperature generalizations of ab initio spin-unrestricted Hartree-Fock (UHF) and spin-restricted coupled-cluster doubles (CCD) theories, extending upon previous work [He et al., J. Chem. Phys. 140, 024702 (2014)] that is based on spin-restricted Hartree-Fock (RHF) and second-order many-body perturbation (MP2) theories. Unlike RHF, UHF can predict SDW as well as CDW and metallic states, and unlike MP2, CCD does not diverge even if the underlying RHF reference wave function is metallic. UHF predicts a gapped SDW state with no dimerization at low temperatures, which gradually becomes metallic as the temperature is raised. CCD, meanwhile, confirms that electron correlation lowers the Peierls transition temperature. Furthermore, we show that the results from all theories for both polymers are subject to a unified interpretation in terms of the UHF solutions to the Hubbard-Peierls model using different values of the electron-electron interaction strength, U/t, in its Hamiltonian. The CCD wave function is shown to encompass the form of the exact solution of the Tomonaga-Luttinger model and is thus expected to describe accurately the electronic structure of Luttinger liquids.

  18. Angle-Resolved Photoemission Study of the Evolution of Band Structure And Charge Density Wave Properties in Rte (3) (R=Y, La, Ce, Sm, Gd, Tb, And Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Brouet, V.; Yang, W.L.; Zhou, X.J.; Hussain, Z.; Moore, R.G.; He, R.; Lu, D.H.; Shen, Z.X.; Laverock, J.; Dugdale, S.B.; Ru, N.; Fisher, I.R.

    2009-05-12

    We present a detailed angle-resolved photoemission spectroscopy (ARPES) investigation of the RTe{sub 3} family, which sets this system as an ideal 'textbook' example for the formation of a nesting driven charge density wave (CDW). This family indeed exhibits the full range of phenomena that can be associated to CDW instabilities, from the opening of large gaps on the best nested parts of Fermi surface (up to 0.4 eV), to the existence of residual metallic pockets. ARPES is the best suited technique to characterize these features, thanks to its unique ability to resolve the electronic structure in k space. An additional advantage of RTe{sub 3} is that the band structure can be very accurately described by a simple two dimensional tight-binding (TB) model, which allows one to understand and easily reproduce many characteristics of the CDW. In this paper, we first establish the main features of the electronic structure by comparing our ARPES measurements with the linear muffin-tin orbital band calculations. We use this to define the validity and limits of the TB model. We then present a complete description of the CDW properties and of their strong evolution as a function of R. Using simple models, we are able to reproduce perfectly the evolution of gaps in k space, the evolution of the CDW wave vector with R, and the shape of the residual metallic pockets. Finally, we give an estimation of the CDW interaction parameters and find that the change in the electronic density of states n(E{sub F}), due to lattice expansion when different R ions are inserted, has the correct order of magnitude to explain the evolution of the CDW properties.

  19. Sliding Charge Density Waves and Related Problems.

    Science.gov (United States)

    1987-03-31

    An exact solution Leigh Sneddon .5 The arie Fisher School ot Phisics . Branaets Lniierirt. Walhamn, A fas suetuserts t)22.74 (Received 13 March 1984...semiconductor. While careful 0 qualitative tests still remain to be performed, these results are clearly qualitatively in agreement with the "catch 22". 2’.! 5

  20. DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

    African Journals Online (AJOL)

    a

    . ... include manufacture of aerospace housing, automotive and jet engines and lead acid batteries. [2]. In specialised ... diameter of one hydrated ion) from the surface of the oxide (ψd) are normally measured through methods such as ...

  1. Accurate Charge Densities from Powder Diffraction

    DEFF Research Database (Denmark)

    Bindzus, Niels; Wahlberg, Nanna; Becker, Jacob

    Synchrotron powder X-ray diffraction has in recent years advanced to a level, where it has become realistic to probe extremely subtle electronic features. Compared to single-crystal diffraction, it may be superior for simple, high-symmetry crystals owing to negligible extinction effects and minimal...... of conventional and novel extraction methods....

  2. Exploring effective interactions through transition charge density ...

    Indian Academy of Sciences (India)

    ] and shell model [20] employing f–p–g valence space. These are still considered to be one of the best microscopic nuclear matrix elements calculations in literature with the shell model nuclear matrix elements for neutrinoless double beta ...

  3. Goldstone bosons in presence of charge density

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš

    2007-01-01

    Roč. 75, č. 10 (2007), s. 105014-105014 ISSN 0556-2821 R&D Projects: GA ČR GA202/06/0734 Institutional research plan: CEZ:AV0Z10480505 Keywords : spontaneous symmetry breaking * goldstone boson counting * two- color QCD Subject RIV: BE - Theoretical Physics Impact factor: 4.852, year: 2005

  4. Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2H-TaS2

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

    2017-09-05

    We report an in-depth angle-resolved photoemission spectroscopy study on 2H-TaS2, a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2H-TaSe2 and 2H-NbSe2, the energy gap (triangle(CDW)) of 2H-TaS2 is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of triangle(CDW) even at temperatures higher than the CDW transition temperature T-CDW in 2H-TaS2, reflects the similar pseudogap behavior observed previously in 2H-TaSe2 and 2H-NbSe2. However, in sharp contrast to 2H-NbSe2, where triangle(CDW) is nonzero only in the vicinity of a few "hot spots" on the innerK-centered Fermi surface barrels, triangle(CDW) in 2H-TaS2 is nonzero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of triangle(CDW) between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

  5. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at sqrt[s_{NN}]=5.02  TeV.

    Science.gov (United States)

    Adam, J; Adamová, D; Aggarwal, M M; Aglieri Rinella, G; Agnello, M; Agrawal, N; Ahammed, Z; Ahmad, S; Ahn, S U; Aiola, S; Akindinov, A; Alam, S N; Aleksandrov, D; Alessandro, B; Alexandre, D; Alfaro Molina, R; Alici, A; Alkin, A; Almaraz, J R M; Alme, J; Alt, T; Altinpinar, S; Altsybeev, I; Alves Garcia Prado, C; Andrei, C; Andronic, A; Anguelov, V; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arcelli, S; Arnaldi, R; Arnold, O W; Arsene, I C; Arslandok, M; Audurier, B; Augustinus, A; Averbeck, R; Azmi, M D; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Balasubramanian, S; Baldisseri, A; Baral, R C; Barbano, A M; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartalini, P; Barth, K; Bartke, J; Bartsch, E; Basile, M; Bastid, N; Basu, S; Bathen, B; Batigne, G; Batista Camejo, A; Batyunya, B; Batzing, P C; Bearden, I G; Beck, H; Bedda, C; Behera, N K; Belikov, I; Bellini, F; Bello Martinez, H; Bellwied, R; Belmont, R; Belmont-Moreno, E; Belyaev, V; Benacek, P; Bencedi, G; Beole, S; Berceanu, I; Bercuci, A; Berdnikov, Y; Berenyi, D; Bertens, R A; Berzano, D; Betev, L; Bhasin, A; Bhat, I R; Bhati, A K; Bhattacharjee, B; Bhom, J; Bianchi, L; Bianchi, N; Bianchin, C; Bielčík, J; Bielčíková, J; Bilandzic, A; Biro, G; Biswas, R; Biswas, S; Bjelogrlic, S; Blair, J T; Blau, D; Blume, C; Bock, F; Bogdanov, A; Bøggild, H; Boldizsár, L; Bombara, M; Book, J; Borel, H; Borissov, A; Borri, M; Bossú, F; Botta, E; Bourjau, C; Braun-Munzinger, P; Bregant, M; Breitner, T; Broker, T A; Browning, T A; Broz, M; Brucken, E J; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bufalino, S; Buncic, P; Busch, O; Buthelezi, Z; Butt, J B; Buxton, J T; Caffarri, D; Cai, X; Caines, H; Calero Diaz, L; Caliva, A; Calvo Villar, E; Camerini, P; Carena, F; Carena, W; Carnesecchi, F; Castillo Castellanos, J; Castro, A J; Casula, E A R; Ceballos Sanchez, C; Cerello, P; Cerkala, J; Chang, B; Chapeland, S; Chartier, M; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Chauvin, A; Chelnokov, V; Cherney, M; Cheshkov, C; Cheynis, B; Chibante Barroso, V; Chinellato, D D; Cho, S; Chochula, P; Choi, K; Chojnacki, M; Choudhury, S; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Chung, S U; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Colamaria, F; Colella, D; Collu, A; Colocci, M; Conesa Balbastre, G; Conesa Del Valle, Z; Connors, M E; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortés Maldonado, I; Cortese, P; Cosentino, M R; Costa, F; Crochet, P; Cruz Albino, R; Cuautle, E; Cunqueiro, L; Dahms, T; Dainese, A; Danisch, M C; Danu, A; Das, D; Das, I; Das, S; Dash, A; Dash, S; De, S; De Caro, A; de Cataldo, G; de Conti, C; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; Deisting, A; Deloff, A; Dénes, E; Deplano, C; Dhankher, P; Di Bari, D; Di Mauro, A; Di Nezza, P; Diaz Corchero, M A; Dietel, T; Dillenseger, P; Divià, R; Djuvsland, Ø; Dobrin, A; Domenicis Gimenez, D; Dönigus, B; Dordic, O; Drozhzhova, T; Dubey, A K; Dubla, A; Ducroux, L; Dupieux, P; Ehlers, R J; Elia, D; Endress, E; Engel, H; Epple, E; Erazmus, B; Erdemir, I; Erhardt, F; Espagnon, B; Estienne, M; Esumi, S; Eum, J; Evans, D; Evdokimov, S; Eyyubova, G; Fabbietti, L; Fabris, D; Faivre, J; Fantoni, A; Fasel, M; Feldkamp, L; Feliciello, A; Feofilov, G; Ferencei, J; Fernández Téllez, A; Ferreiro, E G; Ferretti, A; Festanti, A; Feuillard, V J G; Figiel, J; Figueredo, M A S; Filchagin, S; Finogeev, D; Fionda, F M; Fiore, E M; Fleck, M G; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Francescon, A; Frankenfeld, U; Fronze, G G; Fuchs, U; Furget, C; Furs, A; Fusco Girard, M; Gaardhøje, J J; Gagliardi, M; Gago, A M; Gallio, M; Gangadharan, D R; Ganoti, P; Gao, C; Garabatos, C; Garcia-Solis, E; Gargiulo, C; Gasik, P; Gauger, E F; Germain, M; Gheata, A; Gheata, M; Ghosh, P; Ghosh, S K; Gianotti, P; Giubellino, P; Giubilato, P; Gladysz-Dziadus, E; Glässel, P; Goméz Coral, D M; Gomez Ramirez, A; Gonzalez, V; González-Zamora, P; Gorbunov, S; Görlich, L; Gotovac, S; Grabski, V; Grachov, O A; Graczykowski, L K; Graham, K L; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gronefeld, J M; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Haake, R; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Hamon, J C; Harris, J W; Harton, A; Hatzifotiadou, D; Hayashi, S; Heckel, S T; Helstrup, H; Herghelegiu, A; Herrera Corral, G; Hess, B A; Hetland, K F; Hillemanns, H; Hippolyte, B; Horak, D; Hosokawa, R; Hristov, P; Huang, M; Humanic, T J; Hussain, N; Hussain, T; Hutter, D; Hwang, D S; Ilkaev, R; Inaba, M; Incani, E; Ippolitov, M; Irfan, M; Ivanov, M; Ivanov, V; Izucheev, V; Jacazio, N; Jacobs, P M; Jadhav, M B; Jadlovska, S; Jadlovsky, J; Jahnke, C; Jakubowska, M J; Jang, H J; Janik, M A; Jayarathna, P H S Y; Jena, C; Jena, S; Jimenez Bustamante, R T; Jones, P G; Jusko, A; Kalinak, P; Kalweit, A; 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    2016-06-03

    The pseudorapidity density of charged particles, dN_{ch}/dη, at midrapidity in Pb-Pb collisions has been measured at a center-of-mass energy per nucleon pair of sqrt[s_{NN}]=5.02  TeV. For the 5% most central collisions, we measure a value of 1943±54. The rise in dN_{ch}/dη as a function of sqrt[s_{NN}] is steeper than that observed in proton-proton collisions and follows the trend established by measurements at lower energy. The increase of dN_{ch}/dη as a function of the average number of participant nucleons, ⟨N_{part}⟩, calculated in a Glauber model, is compared with the previous measurement at sqrt[s_{NN}]=2.76  TeV. A constant factor of about 1.2 describes the increase in dN_{ch}/dη from sqrt[s_{NN}]=2.76 to 5.02 TeV for all centrality classes, within the measured range of 0%-80% centrality. The results are also compared to models based on different mechanisms for particle production in nuclear collisions.

  6. Finite-temperature second-order many-body perturbation and Hartree–Fock theories for one-dimensional solids: An application to Peierls and charge-density-wave transitions in conjugated polymers

    International Nuclear Information System (INIS)

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-01

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree–Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the “dimerized” low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature

  7. First proton-proton collisions at the LHC as observed with the ALICE detector measurement of the charged particle pseudorapidity density at $\\sqrt{s}$ = 900 GeV

    CERN Document Server

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Kral, J; Kramer, F; Kraus, I; Kravcáková, A; Krawutschke, T; Krivda, M; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kumar, L; Kumar, N; Kupczak, R; Kurashvili, P; Kurepin, A; Kurepin, A N; Kuryakin, A; Kushpil, S; Kushpil, V; Kutouski, M; Kvaerno, H; Kweon, M J; Kwon, Y; Lackner, F; Ladrón de Guevara, P; Lafage, V; Lal, C; Lara, C; La Rocca, P; Larsen, D T; Laurenti, G; Lazzeroni, C; Le Bornec, Y; Le Bris, N; Lee, H; Lee, K S; Lee, S C; Lefèvre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; León, H; León Monzón, I; León Vargas, H; Lévai, P; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Listratenko, O; Liu, L; Li, Y; Loginov, V; Lohn, S; López Noriega, M; López-Ramírez, R; López Torres, E; Lopez, X; Løvhøiden, G; Lozea Feijo Soares, A; Lunardon, M; Luparello, G; Luquin, L; Lu, S; Lutz, J R; Luvisetto, M; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahajan, A; Mahapatra, D P; Maire, A; Makhlyueva, I; Ma, K; Malaev, M; Maldonado Cervantes, I; Malek, M; Mal'Kevich, D; Malkiewicz, T; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mares, J; Margagliotti, G V; Margotti, A; Marín, A; Martashvili, I; Martinengo, P; Martínez Davalos, A; Martínez García, G; Martínez, M I; Maruyama, Y; Ma, R; Marzari Chiesa, A; Masciocchi, S; Masera, M; Masetti, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Mattos Tavares, B; Matyja, A; Mayani, D; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mendez Lorenzo, P; Meoni, M; Mercado Pérez, J; Mereu, P; Miake, Y; Michalon, A; Miftakhov, N; Milosevic, J; Minafra, F; Mischke, A; Miskowiec, D; Mitu, C; Mizoguchi, K; Mlynarz, J; Mohanty, B; Molnar, L; Mondal, M M; Montaño Zetina, L; Monteno, M; Montes, E; Morando, M; Moretto, S; Morsch, A; Moukhanova, T; Muccifora, V; Mudnic, E; Muhuri, S; Müller, H; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nianine, A; Nicassio, M; Nielsen, B S; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nomokonov, P; Nooren, G; Novitzky, N; Nyatha, A; Nygaard, C; Nyiri, A; Nystrand, J; Ochirov, A; Odyniec, G; Oeschler, H; Oinonen, M; Okada, K; Okada, Y; Oldenburg, M; Oleniacz, J; Oppedisano, C; Orsini, F; Ortíz Velázquez, A; Ortona, G; Oskamp, C; Oskarsson, A; Osmic, F; Österman, L; Ostrowski, P; Otterlund, I; Otwinowski, J; Øvrebekk, G; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Paic, G; Painke, F; Pajares, C; Palaha, A; Palmeri, A; Pal, S K; Pal, S; Panse, R; Pappalardo, G S; Park, W J; Pastircák, B; Pastore, C; Paticchio, V; Pavlinov, A; Pawlak, T; Peitzmann, T; Pepato, A; Pereira, H; Peressounko, D; Pérez, C; Perini, D; Perrino, D; Peryt, W; Peschek, J; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petrácek, V; Petridis, A; Petris, M; Petrovici, M; Petrov, P; Petta, C; Peyré, J; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinsky, L; Pitz, N; Piuz, F; Platt, R; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta Lerma, P L M; Poggio, F; Poghosyan, M G; Poghosyan, T; Polák, K; Polichtchouk, B; Polozov, P; Polyakov, V; Pommeresch, B; Pop, A; Posa, F; Pospísil, V; Potukuchi, B; Pouthas, J; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pujahari, P; Pulvirenti, A; Punin, A; Punin, V; Putis, M; Putschke, J; Quercigh, E; Rachevski, A; Rademakers, A; Radomski, S; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Räsänen, S; Rashevskaya, I; Rath, S; Read, K F; Real, J; Redlich, K; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J P; Reygers, K; Ricaud, H; Riccati, L; Ricci, R A; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rivetti, A; Rodriguez Cahuantzi, M; Røed, K; Röhrich, D; Román López, S; Romita, R; Ronchetti, F; Rosinský, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Rubio-Montero, A J; Rui, R; Rusanov, I; Russo, G; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safarík, K; Sahoo, R; Saini, J; Saiz, P; Sakata, D; Salgado, C A; Salgueiro Dominques da Silva, R; Salur, S; Samanta, T; Sambyal, S; Samsonov, V; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santo, R; Santoro, R; Sarkamo, J; Saturnini, P; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schindler, H; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Segato, G; Semenov, D; Senyukov, S; Seo, J; Serci, S; Serkin, L; Serradilla, E; Sevcenco, A; Sgura, I; Shabratova, G; Shahoyan, R; Sharkov, G; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siddi, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simili, E; Simonetti, G; Singaraju, R; Singhal, V; Singh, R; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Snow, H; Søgaard, C; Sokolov, O; Soloviev, A; Soltveit, H K; Soltz, R; Sommer, W; Son, C W; Song, M; Son, H S; Soos, C; Soramel, F; Soyk, D; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Staley, F; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stolpovsky, P; Strmen, P; Suaide, A A P; Subieta Vásquez, M A; Sugitate, T; Suire, C; Sumbera, M; Susa, T; Swoboda, D; Symons, J; Szanto de Toledo, A; Szarka, I; Szostak, A; Szuba, M; Tadel, M; Tagridis, C; Takahara, A; Takahashi, J; Tanabe, R; Tapia Takaki, J D; Taureg, H; Tauro, A; Tavlet, M; Tejeda Muñoz, G; Telesca, A; Terrevoli, C; Thäder, J; Tieulent, R; Tlusty, D; Toia, A; Tolyhy, T; Torcato de Matos, C; Torii, H; Torralba, G; Toscano, L; Tosello, F; Tournaire, A; Traczyk, T; Tribedy, P; Tröger, G; Truesdale, D; Trzaska, W H; Tsiledakis, G; Tsilis, E; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A; Tveter, T S; Tydesjö, H; Tywoniuk, K; Ulery, J; Ullaland, K; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vala, M; Valencia Palomo, L; Vallero, S; van den Brink, A; van der Kolk, N; Vande Vyvre, P; van Leeuwen, M; Vannucci, L; Vargas, A; Varma, R; Vasiliev, A; Vassiliev, I; Vassiliou, M; Vechernin, V; Venaruzzo, M; Vercellin, E; Vergara, S; Vernet, R; Verweij, M; Vetlitskiy, I; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopianov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Vrláková, J; Vulpescu, B; Wagner, B; Wagner, V; Wallet, L; Wan, R; Wang, D; Wang, Y; Watanabe, K; Wen, Q; Wessels, J; Wheadon, R; Wiechula, J; Wikne, J; Wilk, A; Wilk, G; Williams, M C S; Willis, N; Windelband, B; Xu, C; Yang, C; Yang, H; Yasnopolsky, A; Yermia, F; Yi, J; Yin, Z; Yokoyama, H; Yoo, I-K; Yuan, X; Yushmanov, I; Zabrodin, E; Zagreev, B; Zalite, A; Zampolli, C; Zanevsky, Yu; Zaporozhets, Y; Zarochentsev, A; Závada, P; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zepeda, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zhou, S; Zhu, J; Zichichi, A; Zinchenko, A; Zinovjev, G; Zinovjev, M; Zoccarato, Y; Zychácek, V; Ploskon, M

    2010-01-01

    On 23rd November 2009, during the early commissioning of the CERN Large Hadron Collider (LHC), two counter-rotating proton bunches were circulated for the first time concurrently in the machine, at the LHC injection energy of 450 GeV per beam. Although the proton intensity was very low, with only one pilot bunch per beam, and no systematic attempt was made to optimize the collision optics, all LHC experiments reported a number of collision candidates. In the ALICE experiment, the collision region was centred very well in both the longitudinal and transverse directions and 284 events were recorded in coincidence with the two passing proton bunches. The events were immediately reconstructed and analyzed both online and offline. We have used these events to measure the pseudorapidity density of charged primary particles in the central region. In the range |eta| < 0.5, we obtain dNch/deta = 3.10 +- 0.13 (stat.) +- 0.22 (syst.) for all inelastic interactions, and dNch/deta = 3.51 +- 0.15 (stat.) +- 0.25 (syst.)...

  8. Charge imbalance: its relaxation, diffusion and oscillation

    International Nuclear Information System (INIS)

    Pethick, C.J.

    1981-01-01

    In this article, the authors use a model for charge density based on two charge components: the normal quasiparticle component and the superfluid/condensate component. Based on the quasiparticle Boltzmann equation, this two-component model, when used in nonequilibrium contexts, is fruitful in describing a variety of charge-imbalance phenomena in superconductors. The authors discuss various methods of generating charge-imbalances, charge-imbalance relaxation processes (such as phonons, impurity scattering and magnetic impurities) and applications of the two-component model of charge imbalance to spatially inhomogeneous conditions

  9. Stability of charged strange quark stars

    Energy Technology Data Exchange (ETDEWEB)

    Arbañil, José D. V.; Malheiro, Manuel [Departamento de Física, Instituto Tecnológico de Aeronáutica, Centro Técnico Aeroespacial, 12228-900 São José dos Campos, SP (Brazil)

    2015-12-17

    We investigate the hydrostatic equilibrium and the stability of charged stars made of a charged perfect fluid. The matter contained in the star follows the MIT bag model equation of state and the charge distribution to a power-law of the radial coordinate. The hydrostatic equilibrium and the stability of charged strange stars are analyzed using the Tolman-Oppenheimer-Volkoff equation and the Chandrasekhar’s equation pulsation, respectively. These two equation are modified from their original form to the inclusion of the electric charge. We found that the stability of the star decreases with the increment of the central energy density and with the increment of the amount of charge.

  10. A study of the magnetoresistance of the charge-transfer salt (BEDT-TTF){sub 3}Cl{sub 2}{center_dot}2H{sub 2}O at hydrostatic pressures of up to 20 kbar: evidence for a charge-density-wave ground state and the observation of pressure-induced superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Lubczynski, W. [Department of Physics, University of Oxford, Clarendon Laboratory, Oxford OX1 3PU (United Kingdom); Department of Solid State Physics, 41-800 Zabrze, Kalwalca 3 (Poland); Demishev, S.V. [Department of Physics, University of Oxford, Clarendon Laboratory, Oxford OX1 3PU (United Kingdom); General Physics Institute, Vavilov Street 38, 117942 Moscow (Russian Federation); Singleton, J.; Caulfield, J.M.; Jongh, L du Croo de; Blundell, S.J.; Hayes, W. [Department of Physics, University of Oxford, Clarendon Laboratory, Oxford OX1 3PU (United Kingdom); Kepert, C.J.; Kurmoo, M.; Day, P. [Royal Institution, 21 Albemarle Street, London W1X 4BS (United Kingdom)

    1996-08-12

    The magnetoresistance of single crystals of the quasi-two-dimensional (Q2D) organic conductor (BEDT-TTF){sub 3}Cl{sub 2} {center_dot} 2H{sub 2}O has been studied at temperatures between 700 mK and 300 K in magnetic fields of up to 15 T and hydrostatic pressures of up to 20 kbar. Measurements of the resistivity using a direct-current van der Pauw technique at ambient pressure show that the material undergoes a metal-to-insulator transition at {approx}150 K; below this temperature the resistivity increases by more than five orders of magnitude as the samples are cooled to 4.2 K. If the current exceeds a critical value, the sample resistivity undergoes irreversible changes, and exhibits non-ohmic behaviour over a wide temperature range. Below 30 K, either an abrupt increase of the resistivity by two orders of magnitude or bistable behaviour is observed, depending on the size and/or direction of the measurement current and the sample history. These experimental data strongly suggest that the metal - insulator transition and complex resistivity behaviour are due to the formation of a charge-density wave (CDW) with a well-developed domain structure. The magnetotransport data recorded under hydrostatic pressure indicate that pressure has the effect of gradually reducing the CDW ordering temperature. At higher pressures, there is a pressure-induced transition from the CDW state to a metallic, superconducting state which occurs in two distinct stages. Firstly, a relatively small number of Q2D carriers are induced, evidence for which is seen in the form of the magnetoresistance and the presence of Shubnikov - de Haas oscillations; in spite of the low carrier density, the material then superconducts below a temperature of {approx}2-3 K. Subsequently, at higher pressures, the CDW state collapses, resulting in Q1D behaviour of the magnetoresistance, and eventual suppression of the superconductivity. (author)

  11. Hidden charged dark matter

    International Nuclear Information System (INIS)

    Feng, Jonathan L.; Kaplinghat, Manoj; Tu, Huitzu; Yu, Hai-Bo

    2009-01-01

    Can dark matter be stabilized by charge conservation, just as the electron is in the standard model? We examine the possibility that dark matter is hidden, that is, neutral under all standard model gauge interactions, but charged under an exact (\\rm U)(1) gauge symmetry of the hidden sector. Such candidates are predicted in WIMPless models, supersymmetric models in which hidden dark matter has the desired thermal relic density for a wide range of masses. Hidden charged dark matter has many novel properties not shared by neutral dark matter: (1) bound state formation and Sommerfeld-enhanced annihilation after chemical freeze out may reduce its relic density, (2) similar effects greatly enhance dark matter annihilation in protohalos at redshifts of z ∼ 30, (3) Compton scattering off hidden photons delays kinetic decoupling, suppressing small scale structure, and (4) Rutherford scattering makes such dark matter self-interacting and collisional, potentially impacting properties of the Bullet Cluster and the observed morphology of galactic halos. We analyze all of these effects in a WIMPless model in which the hidden sector is a simplified version of the minimal supersymmetric standard model and the dark matter is a hidden sector stau. We find that charged hidden dark matter is viable and consistent with the correct relic density for reasonable model parameters and dark matter masses in the range 1 GeV ∼ X ∼< 10 TeV. At the same time, in the preferred range of parameters, this model predicts cores in the dark matter halos of small galaxies and other halo properties that may be within the reach of future observations. These models therefore provide a viable and well-motivated framework for collisional dark matter with Sommerfeld enhancement, with novel implications for astrophysics and dark matter searches

  12. Influence of the charge trap density distribution in a gate insulator on the positive-bias stress instability of amorphous indium-gallium-zinc oxide thin-film transistors

    International Nuclear Information System (INIS)

    Kim, Eungtaek; Kim, Choong-Ki; Lee, Myung Keun; Bang, Tewook; Choi, Yang-Kyu; Choi, Kyung Cheol; Park, Sang-Hee Ko

    2016-01-01

    We investigated the positive-bias stress (PBS) instability of thin film transistors (TFTs) composed of different types of first-gate insulators, which serve as a protection layer of the active surface. Two different deposition methods, i.e., the thermal atomic layer deposition (THALD) and plasma-enhanced ALD (PEALD) of Al 2 O 3 , were applied for the deposition of the first GI. When THALD was used to deposit the GI, amorphous indium-gallium-zinc oxide (a-IGZO) TFTs showed superior stability characteristics under PBS. For example, the threshold voltage shift (ΔV th ) was 0 V even after a PBS time (t stress ) of 3000 s under a gate voltage (V G ) condition of 5 V (with an electrical field of 1.25 MV/cm). On the other hand, when the first GI was deposited by PEALD, the ΔV th value of a-IGZO TFTs was 0.82 V after undergoing an identical amount of PBS. In order to interpret the disparate ΔV th values resulting from PBS quantitatively, the average oxide charge trap density (N T ) in the GI and its spatial distribution were investigated through low-frequency noise characterizations. A higher N T resulted during in the PEALD type GI than in the THALD case. Specifically, the PEALD process on a-IGZO layer surface led to an increasing trend of N T near the GI/a-IGZO interface compared to bulk GI owing to oxygen plasma damage on the a-IGZO surface.

  13. Repulsion between oppositely charged planar macroions.

    Directory of Open Access Journals (Sweden)

    YongSeok Jho

    Full Text Available The repulsive interaction between oppositely charged macroions is investigated using Grand Canonical Monte Carlo simulations of an unrestricted primitive model, including the effect of inhomogeneous surface charge and its density, the depth of surface charge, the cation size, and the dielectric permittivity of solvent and macroions, and their contrast. The origin of the repulsion is a combination of osmotic pressure and ionic screening resulting from excess salt between the macroions. The excess charge over-reduces the electrostatic attraction between macroions and raises the entropic repulsion. The magnitude of the repulsion increases when the dielectric constant of the solvent is lowered (below that of water and/or the surface charge density is increased, in good agreement with experiment. Smaller size of surface charge and the cation, their discreteness and mobility are other factors that enhance the repulsion and charge inversion phenomenons.

  14. Charge Injection and Transport in Conjugated Polymers.

    Science.gov (United States)

    Malliaras, George

    2007-03-01

    We will overview the state-of-the-art in our understanding of charge injection and transport in conjugated polymers. We start by discussing the identifying characteristics of this class of materials, especially in relation with their structure and morphology. We follow by reviewing the advantages and limitations of experimental techniques that are used to probe charge transport. We then embark on a discussion of the fundamentals of charge transport in organics. We follow a didactic approach, where we start from transport in crystalline semiconductors and gradually introduce corrections for space charge effects, for the influence of disorder on mobility, for high charge densities, and for electric field-dependent charge densities. We compare with experimental data from polyfluorenes. We then shift our attention to charge injection. We review some of the recent theories and compared their predictions to experimental data, again from polyfluorenes. We close by proposing directions for future work.

  15. Scattering and attenuation of electromagnetic waves by partly charged particles

    Science.gov (United States)

    Zhou, Jùn; Dou, X.; Xie, Li

    2018-02-01

    The scattering of electromagnetic waves (EMWs) by partly charged particles is investigated by Mie theory. For particles much smaller than the wavelength of EMW, the scattering properties are significantly affected by the net surface charges but are not affected by the location of charged area, and the extinction cross section and scattering cross section, as well as the signal attenuation due to charged particles, monotonously increase with the size of charged area and reach maximum when the particle is overall charged, as the surface charge densities is within several hundred μC/m2. Moreover, given the distribution of particle sizes a closer agreement between the theory and measurement of signal attenuation due to charged sand/dust storms can be achieved by taking the charges into consideration and assuming all particles have the same size of charged area and surface charge density in theory calculations.

  16. Energy storage device with large charge separation

    Energy Technology Data Exchange (ETDEWEB)

    Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei T.

    2018-04-03

    High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

  17. Energy storage device with large charge separation

    Science.gov (United States)

    Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei

    2016-04-12

    High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

  18. Axial asymmetry of the charge- and spin-density distributions in Pi states. Molecular quadrupole moments and hyperfine coupling constants of CH, NH, OH, CF, LiO, NO, and FO.

    Science.gov (United States)

    Bruna, Pablo J; Grein, Friedrich

    2009-03-19

    The axial asymmetry of the charge- and spin-density distributions in Pi states is studied via second-rank traceless tensors P(ii) (ii = xx, yy, zz), namely, quadrupole moments (Theta(ii)), electric field gradients (q(ii)), and magnetic dipolar (T(ii)) hyperfine coupling constants (hfcc's). In linear molecules, it holds that P(xx) does not = P(yy) does not = P(zz) for Pi, but P(xx) = P(yy) does not = P(zz) for Sigma, Delta, Phi,..., states. Thus, traceless P(ii) in Pi states have two independent parameters, P(parallel) = P(zz) is proportional to [r(m)(3 cos2 theta - 1] and deltaP(perpendicular) = |P(xx) - P(yy)| is proportional to [r(m) sin2 theta], with m = 2(Theta(ii)) or -3(q(ii), T(ii)). All linear states have P(parallel) does not = 0, but only Pi states exhibit deltaP(perpendicular) does not = 0, as shown by hfcc's like c = (3/2)T(zz), and d = |T(xx) - T(yy)|, as well as q0 = (-q(zz)) and |q(2)/2| = |q(xx) - q(yy)|. Little is known about Theta(zz) and deltaTheta(perpendicular) = |Theta(xx) - Theta(yy)| in Pi states since most experimental values (gas-phase) are rotational averages, and several theoretical studies have reported Theta(zz) but assumed deltaTheta(perpendicular) = 0. The diatomics studied here have X2Pi(1/2)(pi1) ground states, like CH and NO, or are of type X2Pi(3/2)(pi3), like OH, CF, LiO, and FO. The A3Pi(sigma pi3) state of NH is also included. Our P(parallel) and deltaP(perpendicular) values--calculated at the experimental R(e)'s with the B3LYP/aug-cc-pVQZ method--reproduce well the available literature data. The properties of the CF and FO radicals are not well-known so that our {c, d} and {q0, q2} values should help future experimental studies of their hyperfine spectra. Excluding OH, the complete quadrupole sets {Theta(zz), deltaTheta(perpendicular)} are new for all species discussed here. For comparison purposes, Theta(zz) of a low-lying Sigma state is also calculated for each X2Pi radical.

  19. Density functional theory and parallel processing

    International Nuclear Information System (INIS)

    Ward, R.C.; Geist, G.A.; Butler, W.H.

    1987-01-01

    The authors demonstrate a method for obtaining the ground state energies and charge densities of a system of atoms described within density functional theory using simulated annealing on a parallel computer

  20. Cosmology of a charged universe

    International Nuclear Information System (INIS)

    Barnes, A.

    1979-01-01

    The Proca generalization of electrodynamics admits the possibility that the universe could possess a net electric charge uniformly distributed throughout space, while possessing no electric field. A charged intergalactic (and intragalactic) medium of this kind could contain enough energy to be of cosmological importance. A general-relativistic model of cosmological expansion dominated by such a charged background has been calculated, and is consistent with present observational limits on the Hubble constant, the decleration parameter, and the age of the universe. However, if this cosmology applied at the present epoch, the very early expansion of the universe would have been much more rapid than in conventional ''big bang'' cosmologies, too rapid for cosmological nucleosynthesis or thermalization of the background radiation to have occurred. Hence, domination of the present expansion by background charge appears to be incompatible with the 3 K background and big-bang production of light elements. If the present background charge density were sufficiently small (but not strictly zero), expansion from the epoch of nucleosynthesis would proceed according to the conventional scenario, but the energy due to the background charge would have dominated at some earlier epoch. This last possibility leads to equality of pressure and energy density in the primordial universe, a condition of special significance in certain cosmological theories

  1. Robust statistical reconstruction for charged particle tomography

    Science.gov (United States)

    Schultz, Larry Joe; Klimenko, Alexei Vasilievich; Fraser, Andrew Mcleod; Morris, Christopher; Orum, John Christopher; Borozdin, Konstantin N; Sossong, Michael James; Hengartner, Nicolas W

    2013-10-08

    Systems and methods for charged particle detection including statistical reconstruction of object volume scattering density profiles from charged particle tomographic data to determine the probability distribution of charged particle scattering using a statistical multiple scattering model and determine a substantially maximum likelihood estimate of object volume scattering density using expectation maximization (ML/EM) algorithm to reconstruct the object volume scattering density. The presence of and/or type of object occupying the volume of interest can be identified from the reconstructed volume scattering density profile. The charged particle tomographic data can be cosmic ray muon tomographic data from a muon tracker for scanning packages, containers, vehicles or cargo. The method can be implemented using a computer program which is executable on a computer.

  2. Key performance indicators of charging infrastructure

    NARCIS (Netherlands)

    Helmus, J.; van den Hoed, R.

    2016-01-01

    The Netherlands are one of the frontrunners in stimulating electric mobility in Europe when it comes to the charging infrastructure density and electric vehicle adoption. Municipalities play an instrumental role in the rollout of public charging infrastructure while they have little insight in the

  3. CHARGE Association

    Directory of Open Access Journals (Sweden)

    Semanti Chakraborty

    2012-01-01

    Full Text Available We present here a case of 17-year-old boy from Kolkata presenting with obesity, bilateral gynecomastia, mental retardation, and hypogonadotrophic hypogonadism. The patient weighed 70 kg and was of 153 cm height. Facial asymmetry (unilateral facial palsy, gynecomastia, decreased pubic and axillary hair, small penis, decreased right testicular volume, non-palpable left testis, and right-sided congenital inguinal hernia was present. The patient also had disc coloboma, convergent squint, microcornea, microphthalmia, pseudohypertelorism, low set ears, short neck, and choanalatresia. He had h/o VSD repaired with patch. Laboratory examination revealed haemoglobin 9.9 mg/dl, urea 24 mg/dl, creatinine 0.68 mg/dl. IGF1 77.80 ng/ml (decreased for age, GH <0.05 ng/ml, testosterone 0.25 ng/ml, FSH-0.95 ΅IU/ml, LH 0.60 ΅IU/ml. ACTH, 8:00 A.M cortisol, FT3, FT4, TSH, estradiol, DHEA-S, lipid profile, and LFT was within normal limits. Prolactin was elevated at 38.50 ng/ml. The patient′s karyotype was 46XY. Echocardiography revealed ventricularseptal defect closed with patch, grade 1 aortic regurgitation, and ejection fraction 67%. Ultrasound testis showed small right testis within scrotal sac and undescended left testis within left inguinal canal. CT scan paranasal sinuses revealed choanalatresia and deviation of nasal septum to the right. Sonomammography revealed bilateral proliferation of fibroglandular elements predominantly in subareoalar region of breasts. MRI of brain and pituitary region revealed markedly atrophic pituitary gland parenchyma with preserved infundibulum and hypothalamus and widened suprasellar cistern. The CHARGE association is an increasingly recognized non-random pattern of congenital anomalies comprising of coloboma, heart defect, choanal atresia, retarded growth and development, genital hypoplasia, ear abnormalities, and/or deafness. [1] These anomalies have a higher probability of occurring together. In this report, we have

  4. Two interesting cases in spatial charge movement

    International Nuclear Information System (INIS)

    Novellino, R.A.

    1983-01-01

    The relation between current and voltage in a dielectric under radiation is obtained, assuming only one carrier to be mobile, recombination and injection of the mobile charge from the electrode. For this last boundary condition a constant charge density at the electrode-dielectric interface was chosen. The other problem treated is a generalization of the classic transient problem studied by Many-Rakavy, using the constant charge density boundary condition. Analytic solutions were obtained during the first transit time and computed ones for larger times. Some attention was given to the damped current oscilations approaching the steady state value. (Author) [pt

  5. Workplace Charging. Charging Up University Campuses

    Energy Technology Data Exchange (ETDEWEB)

    Giles, Carrie [ICF International, Fairfax, VA (United States); Ryder, Carrie [ICF International, Fairfax, VA (United States); Lommele, Stephen [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-03-01

    This case study features the experiences of university partners in the U.S. Department of Energy's (DOE) Workplace Charging Challenge with the installation and management of plug-in electric vehicle (PEV) charging stations.

  6. Interactions Between Charged Macroions Mediated by Molecules with Rod-like Charged Structures

    Directory of Open Access Journals (Sweden)

    Bohinc, K.

    2014-03-01

    Full Text Available A short review of recent theoretical advances in studies of the interaction between highly charged systems embedded in a solution of rod-like molecules is presented. The system is theoretically described by the functional density theory, where the correlations within the rod-like molecules are accounted for. We show that for sufficiently long molecules and large surface charge densities, an attractive force between like-charged surfaces arises due to the spatially distributed charges within the molecules. The added salt has an influence on the condition for the attractive force between like-charged surfaces. The theoretical results are compared with Monte Carlo simulations. Many phenomena motivate the study of the interaction between like-charged surfaces (DNA condensation, virus aggregation, yeast flocculation, cohesion of cement paste.

  7. Charge Transport in Electrostatic Radiography.

    Science.gov (United States)

    Fallone, B. Gino

    A new analytical hyperbolic expression is presented to describe the full saturation curve of parallel-plate ionization chambers filled with air or with high atomic number gases at elevated pressures. It is shown that all parameters of the saturation curve expression can be calculated from one single measurement of ionization current at a given electric field and air gap thickness. Isothermal charge deposition on polymers to form stable foil electrets by using an apparatus resembling parallel-plate ionization chambers is reported. Charge carriers produced by irradiation of the sensitive air volume drift in the externally applied electric field and get trapped on the polymer surface to form electrets. The time dependence of the polarization and depolarization current densities, the effective electric field in the electret chamber, and the electret surface charge densities are presented for the radiation-induced foil electret and an excellent agreement is obtained with the measured electret data. The theory of linear systems is used to derive the electric field and potential in distance space in the electret chamber. The charging characteristics of ionographi latent images are discussed in terms of saturation characteristics of ionographic chambers. The minimum applied electric field needed for an optimized charge collection in the ionographic chamber is presented in terms of both the electret characteristic polarization time and the electret relaxation time. The feasibility of radiographic image subtraction based on electrostatic imaging techniques is demonstrated. Latent image charging at one polarity corresponding to the production of the primary image, and latent image discharging with the opposite chamber polarity, are used to create the final image representing the region of interest.

  8. Road density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  9. Partial Atomic Charges and Screened Charge Models of the Electrostatic Potential.

    Science.gov (United States)

    Wang, Bo; Truhlar, Donald G

    2012-06-12

    We propose a new screened charge method for calculating partial atomic charges in molecules by electrostatic potential (ESP) fitting. The model, called full density screening (FDS), is used to approximate the screening effect of full charge densities of atoms in molecules. The results are compared to the conventional ESP fitting method based on point charges and to our previously proposed outer density screening (ODS) method, in which the parameters are reoptimized for the present purpose. In ODS, the charge density of an atom is represented by the sum of a point charge and a smeared negative charge distributed in a Slater-type orbital (STO). In FDS, the charge density of an atom is taken to be the sum of the charge density of the neutral atom and a partial atomic charge (of either sign) distributed in an STO. The ζ values of the STOs used in these two models are optimized in the present study to best reproduce the electrostatic potentials. The quality of the fit to the electrostatics is improved in the screened charge methods, especially for the regions that are within one van der Waals radius of the centers of atoms. It is also found that the charges derived by fitting electrostatic potentials with screened charges are less sensitive to the positions of the fitting points than are those derived with conventional electrostatic fitting. Moreover, we found that the electrostatic-potential-fitted (ESP) charges from the screened charge methods are similar to those from the point-charge method except for molecules containing the methyl group, where we have explored the use of restraints on nonpolar H atoms. We recommend the FDS model if the only goal is ESP fitting to obtain partial atomic charges or a fit to the ESP field. However, the ODS model is more accurate for electronic embedding in combined quantum mechanical and molecular mechanical (QM/MM) modeling and is more accurate than point-charge models for ESP fitting, and it is recommended for applications

  10. Lung density

    DEFF Research Database (Denmark)

    Garnett, E S; Webber, C E; Coates, G

    1977-01-01

    The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...

  11. Nonlinear space charge effect of bunched beam in linac

    International Nuclear Information System (INIS)

    Chen Yinbao

    1992-02-01

    The nonlinear space charge effect due to the nonuniform particle density distribution in bunched beam of a linac is discussed. The formulae of nonlinear space charge effect and nonlinear focusing forces were derived for the bunched beam with Kapchinskij-Vladimirskij (K-V) distribution, waterbag (WB) distribution, parabolic (PA) distribution, and Gauss (GA) distribution in both of the space charge disk model and space charge cylinder model in the waveguide of a linac

  12. Electric charge of a lightning ball

    Science.gov (United States)

    Grigor'ev, A. I.; Shiryaeva, S. O.; Petrushov, N. A.

    2016-09-01

    The electric charge of a lightning ball is found by comparing the electrohydrodynamic stabilities of a charged drop in an electrostatic suspension and a lightning ball floating in a superposition of the gravitational field and the surface electric field. It has been assumed that the electric field strength at the surface is limited by a breakdown value. For a lightning ball radius of 15 cm, its charge is estimated as several microcoulombs. Accordingly, the density of electrostatic energy accumulated in the lightning ball is on the order of one-hundredth of a joule per square centimeter. The density of the material that constitutes the lightning ball has been estimated for the case when the electric field strength at the site of its origination is several times higher than that in fine weather. The density of the lightning ball turns out to differ from that of air by only a few percents.

  13. The net charge at interfaces between insulators

    International Nuclear Information System (INIS)

    Bristowe, N C; Littlewood, P B; Artacho, Emilio

    2011-01-01

    The issue of the net charge at insulating oxide interfaces is briefly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the net charge at such interfaces is defined by the counting of discrete electrons and core ion charges, and by the definition of the reference polarization of the separate, unperturbed bulk materials. The arguments are illustrated for the case of a thin film of LaAlO 3 over SrTiO 3 in the absence of free carriers, for which the net charge is exactly 0.5e per interface formula unit, if the polarization response in both materials is referred to zero bulk values. Further consequences of the argument are extracted for structural and chemical alterations of such interfaces, in which internal rearrangements are distinguished from extrinsic alterations (changes of stoichiometry, redox processes), only the latter affecting the interfacial net charge. The arguments are reviewed alongside the proposal of Stengel and Vanderbilt (2009 Phys. Rev. B 80 241103) of using formal polarization values instead of net interfacial charges, based on the interface theorem of Vanderbilt and King-Smith (1993 Phys. Rev. B 48 4442-55). Implications for non-centrosymmetric materials are discussed, as well as for interfaces for which the charge mismatch is an integer number of polarization quanta. (viewpoint)

  14. The net charge at interfaces between insulators

    Energy Technology Data Exchange (ETDEWEB)

    Bristowe, N C; Littlewood, P B [Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Artacho, Emilio, E-mail: ncb30@cam.ac.uk [Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ (United Kingdom)

    2011-03-02

    The issue of the net charge at insulating oxide interfaces is briefly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the net charge at such interfaces is defined by the counting of discrete electrons and core ion charges, and by the definition of the reference polarization of the separate, unperturbed bulk materials. The arguments are illustrated for the case of a thin film of LaAlO{sub 3} over SrTiO{sub 3} in the absence of free carriers, for which the net charge is exactly 0.5e per interface formula unit, if the polarization response in both materials is referred to zero bulk values. Further consequences of the argument are extracted for structural and chemical alterations of such interfaces, in which internal rearrangements are distinguished from extrinsic alterations (changes of stoichiometry, redox processes), only the latter affecting the interfacial net charge. The arguments are reviewed alongside the proposal of Stengel and Vanderbilt (2009 Phys. Rev. B 80 241103) of using formal polarization values instead of net interfacial charges, based on the interface theorem of Vanderbilt and King-Smith (1993 Phys. Rev. B 48 4442-55). Implications for non-centrosymmetric materials are discussed, as well as for interfaces for which the charge mismatch is an integer number of polarization quanta. (viewpoint)

  15. The charged component of the vacuum field as the source of electric ...

    African Journals Online (AJOL)

    The formula is derived for the electric force inside a uniformly charged spherical body, as well as for the Coulomb force between the charged bodies from the standpoint of the model of the vacuum field with charged particles. The parameters of the fluxes of charged particles are estimated, including the energy density, ...

  16. Linear shaped charge

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  17. Complexation behavior of oppositely charged polyelectrolytes: Effect of charge distribution

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Mingtian; Li, Baohui, E-mail: dliang@pku.edu.cn, E-mail: baohui@nankai.edu.cn [School of Physics and Key Laboratory of Functional Polymer Materials of Ministry of Education, Nankai University, Tianjin 300071 (China); Zhou, Jihan; Su, Cuicui; Niu, Lin; Liang, Dehai, E-mail: dliang@pku.edu.cn, E-mail: baohui@nankai.edu.cn [Beijing National Laboratory for Molecular Sciences and the Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2015-05-28

    Complexation behavior of oppositely charged polyelectrolytes in a solution is investigated using a combination of computer simulations and experiments, focusing on the influence of polyelectrolyte charge distributions along the chains on the structure of the polyelectrolyte complexes. The simulations are performed using Monte Carlo with the replica-exchange algorithm for three model systems where each system is composed of a mixture of two types of oppositely charged model polyelectrolyte chains (EGEG){sub 5}/(KGKG){sub 5}, (EEGG){sub 5}/(KKGG){sub 5}, and (EEGG){sub 5}/(KGKG){sub 5}, in a solution including explicit solvent molecules. Among the three model systems, only the charge distributions along the chains are not identical. Thermodynamic quantities are calculated as a function of temperature (or ionic strength), and the microscopic structures of complexes are examined. It is found that the three systems have different transition temperatures, and form complexes with different sizes, structures, and densities at a given temperature. Complex microscopic structures with an alternating arrangement of one monolayer of E/K monomers and one monolayer of G monomers, with one bilayer of E and K monomers and one bilayer of G monomers, and with a mixture of monolayer and bilayer of E/K monomers in a box shape and a trilayer of G monomers inside the box are obtained for the three mixture systems, respectively. The experiments are carried out for three systems where each is composed of a mixture of two types of oppositely charged peptide chains. Each peptide chain is composed of Lysine (K) and glycine (G) or glutamate (E) and G, in solution, and the chain length and amino acid sequences, and hence the charge distribution, are precisely controlled, and all of them are identical with those for the corresponding model chain. The complexation behavior and complex structures are characterized through laser light scattering and atomic force microscopy measurements. The order

  18. Spacecraft Charging Technology, 1980

    Science.gov (United States)

    1981-01-01

    The third Spacecraft Charging Technology Conference proceedings contain 66 papers on the geosynchronous plasma environment, spacecraft modeling, charged particle environment interactions with spacecraft, spacecraft materials characterization, and satellite design and testing. The proceedings is a compilation of the state of the art of spacecraft charging and environmental interaction phenomena.

  19. Correlations in charged bosons systems

    International Nuclear Information System (INIS)

    Almeida Caparica, A. de.

    1985-02-01

    The two and three-dimensional charge Bose gas have been studied. In the bidimensional case two different types of interaction were considered: l/r and l n(r). The method of self-consistent-field was applied to these systems, which takes into account the short range correlations between the bosons through a local-field correction. By using self-consistent numerical calculations, the structure factor S(k → ) was determined. The pair-correlation function, the ground-state energy, the pressure of the gas and the spectrum of elementary excitations were obtained from S (k → ). The screening density induced by a fixed charged impurity was calculated. In the high-density limit our calculations reproduce the results given by Bogoliubov's perturbation theory. In the intermediate-density region, corresponding to the strongly coupled systems, the results are in very good agreement with calculations based on HNC approximation as well as Monte Carlo method. The results are compared in several situations with RPA results showing that the self-consistent method is much more accurate. The two-dimensional systems showed to be more correlated than the three-dimensional systems showed to be more correlated than the three-dimensional one; the gas with interaction l/r is also more correlated than the logarithmic one at high densities, but it begins to be less correlated than this one in the low-density region. The thermodynamic functions of the two and three-dimensional systems at finite temperatures near absolute zero are calculated based upon the gas excitation spectra at zero temperature. (author)

  20. Charge Transport in LDPE Nanocomposites Part II—Computational Approach

    Directory of Open Access Journals (Sweden)

    Anh T. Hoang

    2016-03-01

    Full Text Available A bipolar charge transport model is employed to investigate the remarkable reduction in dc conductivity of low-density polyethylene (LDPE based material filled with uncoated nanofillers (reported in the first part of this work. The effect of temperature on charge transport is considered and the model outcomes are compared with measured conduction currents. The simulations reveal that the contribution of charge carrier recombination to the total transport process becomes more significant at elevated temperatures. Among the effects caused by the presence of nanoparticles, a reduced charge injection at electrodes has been found as the most essential one. Possible mechanisms for charge injection at different temperatures are therefore discussed.

  1. Charged particle detector

    International Nuclear Information System (INIS)

    Hagen, R.D.

    1975-01-01

    A device for detecting the emission of charged particles from a specimen is described. The specimen is placed within an accumulator means which statically accumulates any charged particles emitted from the specimen. The accumulator means is pivotally positioned between a first capacitor plate having a positive electrical charge and a second capacitor plate having a negative electrical charge. The accumulator means is attracted to one capacitor plate and repelled from the other capacitor plate by an amount proportional to the amount and intensity of charged particles emitted by the specimen. (auth)

  2. Space Charge Effects

    CERN Document Server

    Ferrario, M.; Palumbo, L.

    2014-12-19

    The space charge forces are those generated directly by the charge distribution, with the inclusion of the image charges and currents due to the interaction of the beam with a perfectly conducting smooth pipe. Space charge forces are responsible for several unwanted phenomena related to beam dynamics, such as energy loss, shift of the synchronous phase and frequency , shift of the betatron frequencies, and instabilities. We will discuss in this lecture the main feature of space charge effects in high-energy storage rings as well as in low-energy linacs and transport lines.

  3. Study of charge density and crystal structure of (La{sub 0.75}Sr{sub 0.25})MnO{sub 3.00} and (Ba{sub 0.5}Sr{sub 0.5})(Co{sub 0.8}Fe{sub 0.2})O{sub 2.33-{delta}}at 500-900 K by in situ synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Takanori, E-mail: tknitoh@seimichemical.co.j [AGC Seimi Chemical Co., Ltd., 3-2-10 Chigasaki, Chigasaki City, Kanagawa 253-8585 (Japan); Shirasaki, Saori; Fujie, Yoshinori [AGC Seimi Chemical Co., Ltd., 3-2-10 Chigasaki, Chigasaki City, Kanagawa 253-8585 (Japan); Kitamura, Naoto; Idemoto, Yasushi [Department of Pure and Applied Chemistry, Factory of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510 (Japan); Osaka, Keiichi; Ofuchi, Hironori; Hirayama, Sayaka; Honma, Tetsuo; Hirosawa, Ichiro [Japan Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2010-02-18

    We studied the relationships between the temperature dependence of the charge density, the atomic isotropic displacement parameter (U{sub iso}) of oxygen, and conductivity in (La{sub 0.75}Sr{sub 0.25})MnO{sub 3.00} (LSM) and (Ba{sub 0.5}Sr{sub 0.5})(Co{sub 0.8}Fe{sub 0.2})O{sub 2.33-{delta}}(BSCF) using the maximum-entropy method (MEM) and Rietveld refinements of in situ synchrotron X-ray diffraction (SR-XRD) measurements taken at 500-900 K. MEM revealed that the Mn-O plane in LSM has a strong isotropic covalent bond that enables high electron conductivity. The charge density at the O sites in LSM decreased slightly with increasing temperature. The charge density at the O2(8d) site in BSCF was independent of temperature. In contrast, the charge density at the O1(4c) site in BSCF decreased significantly with increasing temperature. We suggest that the O1(4c) site and not the O2(8d) site has decreasing occupancy. We also estimated U{sub iso} for the oxygen sites with and without taking the occupancy factor into consideration. We presumed that the temperature dependence of U{sub iso} for the O1(4c) site was strongly related to the site occupancy. There was no temperature dependence for U{sub iso} of the O1(4c) site when taking the decreasing site occupancy into account; however, the U{sub iso} value of the O1(4c) site was three times that of the O2(8d) site. On the basis of the analysis results for the temperature dependences of the charge density, site occupancy, and U{sub iso} of each oxygen site in BSCF, we propose that the O1(4c) site is responsible for oxygen ion conduction.

  4. The Matter and the Pseudoscalar Densities in Lattice QCD

    CERN Document Server

    Alexandrou, C; Tsapalis, A; Forcrand, Ph. de

    2003-01-01

    The matter and the pseudoscalar densities inside a hadron are calculated via gauge-invariant equal-time correlation functions. A comparison is made between the charge charge and the matter density distributions for the pion, the rho, the nucleon and the $Delta^+$ within the quenched theory, and with two flavours of dynamical quarks.

  5. The Charge Collection Properties of CVD Diamond

    CERN Document Server

    Behnke, T; Oh, A; Steuerer, J; Wagner, A; Zeuner, W; Behnke, Ties; Hüntemeyer, Petra; Oh, Alexander; Steuerer, Johannes; Wagner, Albrecht; Zeuner, Wolfram

    1998-01-01

    The charge collection properties of CVD diamond have been investigated with ionising radiation. In this study two CVD diamond samples, prepared with electrical contacts have been used as solid state ionisation chambers. The diamonds have been studied with beta particles and 10 keV photons, providing a homogeneous ionisation density and with protons and alpha particles which are absorbed in a thin surface layer. For the latter case a strong decrease of the signal as function of time is observed, which is attributed to polarisation effects inside the diamond. Spatially resolved measurements with protons show a large variation of the charge collection efficiency, whereas for photons and minimum ionising particles the response is much more uniform and in the order of 18%. These results indicate that the applicability of CVD diamond as a position sensitive particle detector depends on the ionisation type and appears to be promising for homogeneous ionisation densities as provided by relativistic charged particles.

  6. Battery materials for ultrafast charging and discharging.

    Science.gov (United States)

    Kang, Byoungwoo; Ceder, Gerbrand

    2009-03-12

    The storage of electrical energy at high charge and discharge rate is an important technology in today's society, and can enable hybrid and plug-in hybrid electric vehicles and provide back-up for wind and solar energy. It is typically believed that in electrochemical systems very high power rates can only be achieved with supercapacitors, which trade high power for low energy density as they only store energy by surface adsorption reactions of charged species on an electrode material. Here we show that batteries which obtain high energy density by storing charge in the bulk of a material can also achieve ultrahigh discharge rates, comparable to those of supercapacitors. We realize this in LiFePO(4) (ref. 6), a material with high lithium bulk mobility, by creating a fast ion-conducting surface phase through controlled off-stoichiometry. A rate capability equivalent to full battery discharge in 10-20 s can be achieved.

  7. Low Bone Density

    Science.gov (United States)

    ... Bone Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone ... to people with normal bone density. Detecting Low Bone Density A bone density test will determine whether ...

  8. CERN Linac4 - The space charge challenge

    Energy Technology Data Exchange (ETDEWEB)

    Hein, Lutz Matthias [CERN, Genf (Switzerland)

    2012-07-01

    The achievement of a higher proton flux to go beyond the current LHC design luminosity parameters is conditional on an upgrade of the injector chain. Presently the major limitation is given by space charge effects at injection from Linac2 into the PS Booster. These will be overcome by increasing the injection energy from 50 MeV to 160 MeV with the planned replacement of Linac2 with Linac4, a new normal conducting H-linear accelerator presently under construction. Due to the high charge density of the Linac4 bunches space charge will still dominate the beam dynamics in the low energy 3 MeV frontend. In this presentation a short, theoretical introduction to space charge effects is given, and their impact on the beam is illustrated with simulations. Moreover, the latest results of the commissioning of the low energy front end of Linac4 are shown and discussed.

  9. Charge Diagnostics for Laser Plasma Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, K.; Gonsalves, A. J.; Lin, C.; Sokollik, T.; Smith, A.; Rodgers, D.; Donahue, R.; Bryne, W.; Leemans, W. P.

    2010-06-01

    The electron energy dependence of a scintillating screen (Lanex Fast) was studied with sub-nanosecond electron beams ranging from 106 MeV to 1522 MeV at the Lawrence Berkeley National Laboratory Advanced Light Source (ALS) synchrotron booster accelerator. The sensitivity of the Lanex Fast decreased by 1percent per 100 MeV increase of the energy. The linear response of the screen against the charge was verified with charge density and intensity up to 160 pC/mm2 and 0.4 pC/ps/mm2, respectively. For electron beams from the laser plasma accelerator, a comprehensive study of charge diagnostics has been performed using a Lanex screen, an integrating current transformer, and an activation based meas