WorldWideScience

Sample records for high charge densities

  1. Survival of charged rho condensation at high temperature and density

    CERN Document Server

    Liu, Hao; Huang, Mei

    2015-01-01

    The charged vector $\\rho$ mesons in the presence of external magnetic fields at finite temperature $T$ and chemical potential $\\mu$ have been investigated in the framework of the Nambu--Jona-Lasinio model. We compute the masses of charged $\\rho$ mesons numerically as a function of the magnetic field for different values of temperature and chemical potential. The self-energy of the $\\rho$ meson contains the quark-loop contribution, i.e. the leading order contribution in $1/N_c$ expansion. The charged $\\rho$ meson mass decreases with the magnetic field and drops to zero at a critical magnetic field $eB_c$, which means that the charged vector meson condensation, i.e. the electromagnetic superconductor can be induced above the critical magnetic field. Surprisingly, it is found that the charged $\\rho$ condensation can even survive at high temperature and density. At zero temperature, the critical magnetic field just increases slightly with the chemical potential, which indicates that the charged $\\rho$ condensatio...

  2. 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 charg

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

    Science.gov (United States)

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

    2006-12-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Gravier, L [Institut de Physique des Nanostructures, Ecole Polytechnique Federale de Lausanne (EPFL), EPFL-SB-IPN station 3, 1015 Lausanne (Switzerland); Fukushima, A [National Institute of Advances Industrial Science and Technology (AIST) 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Kubota, H [National Institute of Advances Industrial Science and Technology (AIST) 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Yamamoto, A [National Institute of Advances Industrial Science and Technology (AIST) 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Yuasa, S [National Institute of Advances Industrial Science and Technology (AIST) 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)

    2006-12-21

    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.

  5. 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.

  6. Orbital quantization in the high-magnetic-field state of a charge-density-wave system

    Science.gov (United States)

    Andres, D.; Kartsovnik, M. V.; Grigoriev, P. D.; Biberacher, W.; Müller, H.

    2003-11-01

    A superposition of the Pauli and orbital couplings of a high magnetic field to charge carriers in a charge-density-wave (CDW) system is proposed to give rise to transitions between subphases with quantized values of the CDW wave vector. By contrast to the purely orbital field-induced density-wave effects which require a strongly imperfect nesting of the Fermi surface, the new transitions can occur even if the Fermi surface is well nested at zero field. We suggest that such transitions are observed in the organic metal α-(BEDT-TTF)2KHg(SCN)4 under a strongly tilted magnetic field.

  7. Experimental charge density of hematite in its magnetic low temperature and high temperature phases

    Energy Technology Data Exchange (ETDEWEB)

    Theissmann, R., E-mail: ralf.theissmann@kronosww.com [Faculty of Engineering and CeNIDE (Center for NanoIntegration Duisburg-Essen), University of Duisburg-Essen, Bismarckstr. 81, 47057 Duisburg (Germany); Fuess, H. [Institute for Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt (Germany); Tsuda, K. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, 980-8577 Sendai (Japan)

    2012-09-15

    Structural parameters of hematite ({alpha}-Fe{sub 2}O{sub 3}), including the valence electron distribution, were investigated using convergent beam electron diffraction (CBED) in the canted antiferromagnetic phase at room temperature and in the collinear antiferromagnetic phase at 90 K. The refined charge density maps are interpreted as a direct result of electron-electron interaction in a correlated system. A negative deformation density was observed as a consequence of closed shell interaction. Positive deformation densities are interpreted as a shift of electron density to antibinding molecular orbitals. Following this interpretation, the collinear antiferromagnetic phase shows the characteristic of a Mott-Hubbard type insulator whereas the high temperature canted antiferromagnetic phase shows the characteristic of a charge transfer insulator. The break of the threefold symmetry in the canted antiferromagnetic phase was correlated to the presence of oxygen-oxygen bonding, which is caused by a shift of spin polarized charge density from iron 3d-orbitals to the oxygen ions. We propose a triangular magnetic coupling in the oxygen planes causing a frustrated triangular spin arrangement with all spins lying in the oxygen planes. This frustrated arrangement polarizes the super-exchange between iron ions and causes the spins located at the iron ions to orient in the same plane, perpendicular to the threefold axis. -- Highlights: Black-Right-Pointing-Pointer Quantitative CBED was used to study hematite ({alpha}-Fe2O3). Black-Right-Pointing-Pointer Structure and charge density of both antiferromagnetic phases were investigated. Black-Right-Pointing-Pointer Topological charge density analysis was combined with a Bader analysis. Black-Right-Pointing-Pointer A transition from a Mott-Hubbard to a charge transfer insulator is proposed. Black-Right-Pointing-Pointer A frustrated triangular magnetic coupling in the oxygen planes is proposed.

  8. Reversible Electrochemical Sensor for Detection of High-Charge Density Polyanion Contaminants in Heparin.

    Science.gov (United States)

    Lester, Jacob; Chandler, Timothy; Gemene, Kebede L

    2015-11-17

    We present a simple, rapid, and inexpensive electrochemical sensor based on a reversible pulsed chronopotentiometric polyanion-selective membrane electrode for the detection and quantification of oversulfated chondroitin sulfate (OSCS) and other high charge-density polyanions that could potentially be used to adulterate heparin. The membrane is free of ion exchanger and is formulated with plasticized poly(vinyl chloride) (PVC) and an inert lipophilic salt, tridodecylmethylammonium-dinonylnaphthaline sulfonate (TDMA-DNNS). The neutral salt is used to reduce membrane resistance and to ensure reversibility of the sensor. More importantly, TDMA(+) is used as the recognition element for the polyanions. Here an anodic galvanostatic current pulse is applied across the membrane to cause the extraction of the polyanions from the sample into the membrane and potential is measured at the sample-membrane interface. The measured electromotive force (emf) is proportional to the concentration and the charge density of the polyanions. High charge-density polyanion contaminants and impurities in heparin can be detected using this method since the overall equilibrium potential response of polyions increases with increasing charge density of the polyions. Here, first the potential response of pure heparin is measured at a saturation concentration, the concentration beyond which further addition of heparin does not produce a change in potential response. Then the potential response of heparin tainted with different quantities of the high charge-density contaminant is measured at a fixed total polyion concentration (heparin concentration + contaminant concentration). The latter gives a greater negative potential response due to the presence of the high charge-density contaminant. The increase in the negative potential response can be used for detection and quantification of high charge-density contaminants in heparin. We demonstrate here that 0.3% (w/w) OSCS as well as 0.1% (w

  9. 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

  10. Holographic charge density waves

    CERN Document Server

    Donos, Aristomenis

    2013-01-01

    We show that strongly coupled holographic matter at finite charge density can exhibit charge density wave phases which spontaneously break translation invariance while preserving time-reversal and parity invariance. We show that such phases are possible within Einstein-Maxwell-dilaton theory in general spacetime dimensions. We also discuss related spatially modulated phases when there is an additional coupling to a second vector field, possibly with non-zero mass. We discuss how these constructions, and others, should be associated with novel spatially modulated ground states.

  11. Holographic charge density waves

    Science.gov (United States)

    Donos, Aristomenis; Gauntlett, Jerome P.

    2013-06-01

    We show that strongly coupled holographic matter at finite charge density can exhibit charge density wave phases which spontaneously break translation invariance while preserving time-reversal and parity invariance. We show that such phases are possible within Einstein-Maxwell-dilaton theory in general spacetime dimensions. We also discuss related spatially modulated phases when there is an additional coupling to a second vector field, possibly with nonzero mass. We discuss how these constructions, and others, should be associated with novel spatially modulated ground states.

  12. Experimental charge density of hematite in its magnetic low temperature and high temperature phases.

    Science.gov (United States)

    Theissmann, R; Fuess, H; Tsuda, K

    2012-09-01

    Structural parameters of hematite (α-Fe(2)O(3)), including the valence electron distribution, were investigated using convergent beam electron diffraction (CBED) in the canted antiferromagnetic phase at room temperature and in the collinear antiferromagnetic phase at 90K. The refined charge density maps are interpreted as a direct result of electron-electron interaction in a correlated system. A negative deformation density was observed as a consequence of closed shell interaction. Positive deformation densities are interpreted as a shift of electron density to antibinding molecular orbitals. Following this interpretation, the collinear antiferromagnetic phase shows the characteristic of a Mott-Hubbard type insulator whereas the high temperature canted antiferromagnetic phase shows the characteristic of a charge transfer insulator. The break of the threefold symmetry in the canted antiferromagnetic phase was correlated to the presence of oxygen-oxygen bonding, which is caused by a shift of spin polarized charge density from iron 3d-orbitals to the oxygen ions. We propose a triangular magnetic coupling in the oxygen planes causing a frustrated triangular spin arrangement with all spins lying in the oxygen planes. This frustrated arrangement polarizes the super-exchange between iron ions and causes the spins located at the iron ions to orient in the same plane, perpendicular to the threefold axis. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. Tailoring Membrane Nanostructure and Charge Density for High Electrokinetic Energy Conversion Efficiency.

    Science.gov (United States)

    Haldrup, Sofie; Catalano, Jacopo; Hinge, Mogens; Jensen, Grethe V; Pedersen, Jan S; Bentien, Anders

    2016-02-23

    The electrokinetic energy conversion (EKEC) of hydraulic work directly into electrical energy has been investigated in charged polymeric membranes with different pore charge densities and characteristic diameters of the nanoporous network. The membranes were synthesized from blends of nitrocellulose and sulfonated polystyrene (SPS) and were comprehensively characterized with respect to structure, composition, and transport properties. It is shown that the SPS can be used as a sacrificial pore generation medium to tune the pore size and membrane porosity, which in turn highly affects the transport properties of the membranes. Furthermore, it is shown that very high EKEC efficiencies (>35%) are encountered in a rather narrow window of the properties of the nanoporous membrane network, that is, with pore diameters of ca. 10 nm and pore charge densities of 4.6 × 10(2) to 1.5 × 10(3) mol SO3(-) m(-3) for dilute solutions (0.03 M LiCl). The high absolute value of the efficiency combined with the determination of the optimal membrane morphology makes membrane-based EKEC devices a step closer to practical applications and high-performance membrane design less empirical.

  14. Dissipative particle dynamics for systems with high density of charges: Implementation of electrostatic interactions

    Science.gov (United States)

    Gavrilov, A. A.; Chertovich, A. V.; Kramarenko, E. Yu.

    2016-11-01

    In this work, we study the question of how to introduce electrostatic interactions in dissipative particle dynamics (DPD) method in order to correctly reproduce the properties of systems with high density of charges, including those with inhomogeneous charge distribution. To this end, we formulate general requirements for the electrostatic force in DPD and propose a new functional form of the force which suits better for satisfying these requirements than the previously used ones. In order to verify the proposed model, we study the problem of a single polyelectrolyte chain collapse and compare the results with molecular dynamics (MD) simulations in which the exact Coulomb force is used. We show that an excellent quantitative agreement between MD and DPD models is observed if the length parameter D of the proposed electrostatic force is chosen properly; the recommendations concerning the choice of this parameter value are given based on the analysis of a polyelectrolyte chain collapse behavior. Finally, we demonstrate the applicability of DPD with the proposed electrostatic force to studying microphase separation phenomenon in polyelectrolyte melts and show that the same values of D as in the case of single chain collapse should be used, thus indicating universality of the model. Due to the charge correlation attraction, a long-range order in such melts can be observed even at zero Flory-Huggins parameter.

  15. High-resolution synchrotron data collection for charge-density work at 100 and 20 K.

    Science.gov (United States)

    Luger, Peter; Messerschmidt, Marc; Scheins, Stephan; Wagner, Armin

    2004-09-01

    For the measurement of very accurate high-resolution X-ray data for charge-density work, synchrotron beamlines provide a bright radiation source of outstanding properties. Most important are the very high primary intensity and the possibility of choosing hard radiation with lambda approximately 0.5 A or even shorter. This together with area detection and a stable low-temperature device means that accurate and large data sets can be measured in a short time. A number of data collections are reported, which were carried out at the beamlines F1 and D3 of Hasylab (DESY, Hamburg) first at 100 K and later at 15-20 K, demonstrating the quality of the measured intensities. A low temperature of around 20 K was obtained at beamline D3 with a double-stage closed-cycle helium cryostat where the standard beryllium cylinder of the vacuum chamber was replaced by a 0.1 mm Kapton film. Comparison of different data sets measured for a strychnine crystal demonstrated how I/sigma ratios favorably improve if synchrotron radiation at a low temperature of 15 K was used. Synchrotron-based studies on several biologically active compounds are briefly summarized and a synchrotron experiment of an otherwise not sufficiently diffracting crystal of a tetraphenyl barbaralane derivative is described in detail. Atomic volumes and charges of a highly substituted C(60) fullerene are reported derived from a synchrotron data set of more than 350000 reflections.

  16. Monodisperse TiO2 Spheres with High Charge Density and Their Self-Assembly.

    Science.gov (United States)

    Xia, Hongbo; Wu, Suli; Su, Xin; Zhang, Shufen

    2017-01-03

    Titanium dioxide (TiO2 ) spheres are potential candidates to fabricate three-dimensional (3D) photonic crystals owing to their high refractive index and low absorption in the visible and near-infrared regions. Here, TiO2 spheres with both high surface charge density and uniform size, which are necessary for the self-assembly of TiO2 spheres, have been prepared by means of sol-gel methods in ethanol in the presence of thioglycolic acid as ligand. Thioglycolic acid, which contains two functional groups, not only acts as coordinating ligand for stabilizing and controlling the growth of TiO2 spheres but also endows the resulting TiO2 spheres with high charge density as based on ζ-potential analysis when the pH of the TiO2 aqueous dispersion was 6.5 or higher. The SEM images illustrate that the diameter of the prepared TiO2 spheres can be tuned from 100 to 300 nm by simply controlling the concentration of H2 O. FTIR spectra confirm that thioglycolic acid bonded to the surface of TiO2 spheres through carboxylic groups. As anticipated, the obtained TiO2 spheres could self-assemble to form a 3D opal photonic crystal structure by means of a simple gravity sedimentation method. Then the TiO2 spheres in the 3D opal photonic crystal structure were able to transform into a pure anatase phase by annealing at different temperatures.

  17. Quantum crystallographic charge density of urea

    OpenAIRE

    Wall, Michael E.

    2015-01-01

    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 crys...

  18. Analysis of Interface Charge Densities for High-k Dielectric Materials based Metal Oxide Semiconductor Devices

    Science.gov (United States)

    Maity, N. P.; Thakur, R. R.; Maity, Reshmi; Thapa, R. K.; Baishya, S.

    2016-10-01

    In this paper, the interface charge densities (Dit) are studied and analyzed for ultra thin dielectric metal oxide semiconductor (MOS) devices using different high-k dielectric materials such as Al2O3, ZrO2 and HfO2. The Dit have been calculated by a new approach using conductance method and it indicates that by reducing the thickness of the oxide, the Dit increases and similar increase is also found by replacing SiO2 with high-k. For the same oxide thickness, SiO2 has the lowest Dit and found to be the order of 1011cm-2eV-1. Linear increase in Dit has been observed as the dielectric constant of the oxide increases. The Dit is found to be in good agreement with published fabrication results at p-type doping level of 1×1017cm-3. Numerical calculations and solutions are performed by MATLAB and device simulation is done by ATLAS.

  19. Ideal charge-density-wave order in the high-field state of superconducting YBCO

    Science.gov (United States)

    Jang, H.; Lee, W.-S.; Nojiri, H.; Matsuzawa, S.; Yasumura, H.; Nie, L.; Maharaj, A. V.; Gerber, S.; Liu, Y.-J.; Mehta, A.; Bonn, D. A.; Liang, R.; Hardy, W. N.; Burns, C. A.; Islam, Z.; Song, S.; Hastings, J.; Devereaux, T. P.; Shen, Z.-X.; Kivelson, S. A.; Kao, C.-C.; Zhu, D.; Lee, J.-S.

    2016-12-01

    The existence of charge-density-wave (CDW) correlations in cuprate superconductors has now been established. However, the nature of the CDW ground state has remained uncertain because disorder and the presence of superconductivity typically limit the CDW correlation lengths to only a dozen unit cells or less. Here we explore the field-induced 3D CDW correlations in extremely pure detwinned crystals of YBa2Cu3O2 (YBCO) ortho-II and ortho-VIII at magnetic fields in excess of the resistive upper critical field (Hc2Hc2) where superconductivity is heavily suppressed. We observe that the 3D CDW is unidirectional and possesses a long in-plane correlation length as well as significant correlations between neighboring CuO2 planes. It is significant that we observe only a single sharply defined transition at a critical field proportional to Hc2Hc2, given that the field range used in this investigation overlaps with other high-field experiments including quantum oscillation measurements. The correlation volume is at least two to three orders of magnitude larger than that of the zero-field CDW. This is by far the largest CDW correlation volume observed in any cuprate crystal and so is presumably representative of the high-field ground state of an “ideal” disorder-free cuprate.

  20. Dislocations as a boundary between charge density wave and oxygen rich phases in a cuprate high temperature superconductor

    Science.gov (United States)

    Poccia, Nicola; Ricci, Alessandro; Campi, Gaetano; Bianconi, Antonio

    2017-03-01

    Multiple functional ionic and electronic orders are observed in high temperature superconducting cuprates. The charge density wave order is one of them and it is spatially localized in different regions of the material. It is also known that the oxygen interstitials introduced by chemical intercalation self-organize in different oxygen rich regions corresponding with hole rich regions in the CuO2 layers left empty by the charge density wave order domains. However, what happens in between these two orders is not known, and neither there is a method to control this spatial separation. Here we demonstrate by using scanning nano x-ray diffraction, that dislocations or grain boundaries in the material can act as boundary between charge density wave and oxygen rich phases in a optimally doped {{La}}2{{CuO}}4+y high temperature superconductor. Dislocations can be used therefore to control the anti-correlation of the charge density wave order with the oxygen interstitials in specific portion of the material.

  1. Ionic Wind Phenomenon and Charge Carrier Mobility in Very High Density Argon Corona Discharge Plasma

    Science.gov (United States)

    Nur, M.; Bonifaci, N.; Denat, A.

    2014-04-01

    Wind ions phenomenon has been observed in the high density argon corona discharge plasma. Corona discharge plasma was produced by point to plane electrodes and high voltage DC. Light emission from the recombination process was observed visually. The light emission proper follow the electric field lines that occur between point and plane electrodes. By using saturation current, the mobilities of non-thermal electrons and ions have been obtained in argon gas and liquid with variation of density from 2,5 1021 to 2 1022 cm-3. In the case of ions, we found that the behaviour of the apparent mobility inversely proportional to the density or follow the Langevin variation law. For non-thermal electron, mobility decreases and approximately follows a variation of Langevin type until the density <= 0,25 the critical density of argon.

  2. 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.

  3. Charge density deposited in silicon by high velocity heavy ions. Densite de charges deposees par des ions lourds a haute vitesse dans le silicium

    Energy Technology Data Exchange (ETDEWEB)

    Vidiella, G.; Patin, Y. (CEA Centre d' Etudes de Bruyeres-le-Chatel, 91 (FR)); Touati, A. (Institut Curie, 75 - Paris (FR))

    1989-12-01

    For high velocity collisions, Doubly Differential Cross Sections for target ionisation (the main primary process), are well described by a recent refined theory. This allows ab initio calculation of the structure of the energy deposition in the incident ion track. Such a calculation first developed for radiobiological purpose has been applied to the case of a silicium target. Charge density profiles for various ions are presented here.

  4. 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.

  5. Phase transitions to dipolar clusters and charge density waves in high Tc superconductors

    Science.gov (United States)

    Saarela, M.; Kusmartsev, F. V.

    2017-02-01

    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. Microscopic Charge Density Wave Transport

    NARCIS (Netherlands)

    Slot, Erwin

    2005-01-01

    This thesis describes the work performed on crystals with a phase transition to a Charge-Density Wave (CDW). The electrical transport properties change when crystal sizes are smaller than characteristic length scales for CDWs, typically 1 micrometer. In contrast to metals, semiconductors and superco

  7. Parametric study of a high current–density EBIS Charge Breeder regarding Two Stream plasma Instability (TSI)

    Energy Technology Data Exchange (ETDEWEB)

    Shornikov, Andrey, E-mail: andrey.shornikov@cern.ch [CERN, AB Department, CH-1211 Geneva 23 (Switzerland); Mertzig, Robert; Breitenfeldt, Martin; Lombardi, Alessandra; Wenander, Fredrik [CERN, AB Department, CH-1211 Geneva 23 (Switzerland); Pikin, Alexander [BNL, Upton, NY (United States)

    2016-06-01

    In this paper we report on our results from the design study of an advanced Electron Beam Ion Source (EBIS) based Charge Breeder (ECB). The ECB should fulfill the requirements of the HIE-ISOLDE upgrade, and if possible be adapted for ion injection into TSR@ISOLDE, as well as serve as an early prototype of a future EURISOL ECB. Fulfilling the HIE-ISOLDE/TSR@ISOLDE specifications requires simultaneous increase in electron beam energy, current and current density in order to provide the requested beams with proper charge state, high intensity and with a specified pulse repetition rate. We have carried out a study on the technical requirements of the ECB. The obtained parameters were optimized to comply with technical limitations arising from the electron beam technology and plasma physics in an ECB.

  8. Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment.

    Science.gov (United States)

    Xin, Encheng; Ju, Yong; Yuan, Haiwen

    2016-10-20

    A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density.

  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. Quantum crystallographic charge density of urea.

    Science.gov (United States)

    Wall, Michael E

    2016-07-01

    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.

  11. Quantum crystallographic charge density of urea

    Science.gov (United States)

    Wall, Michael E.

    2016-01-01

    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. PMID:27437111

  12. 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 FeSO4 at pH9 and excess of KMnO4 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.

  13. 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.

  14. Artificial Modulation of Ferroelectric Thin Films into Antiferroelectric through H+ Implantation for High-Density Charge Storage

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yan-Jun; FEI Jin-Wen; TANG Wing-Ao; JIANG An-Quan

    2008-01-01

    Hydrogen ions are implanted into Pb(Zr0.3Ti0.7)O3 thin films at the energy of 40keV with a flux of 5 ×1014 ions/cm2.Pseudo-antiferroelectric behaviour in the implanted thin films is observed,as confirmed by the measurements of polarization versus electric hysteresis loops and capacitance versus voltage curves.X-ray diffraction patterns show the film structures before and after H+ implantation both to be perovskite of a tetragonal symmetry.These findings indicate that hydrogen ions exist as stable dopants within the films.It is believed that the dopants change domain-switching behaviour via the boundary charge compensation.Meanwhile,time dependence of leakage current density after time longer than lOs indicates the enhancement of the leakage current nearly in one order for the implanted film,but the current at time shorter than I s is mostly the same as that of the original film without the ionic implantation.The artificial tailoring of the antiferroelectric behaviour through H+ implantation in ferroelectric thin films is finally proven to be achievable for the device application of high-density charge storage.

  15. Three-Dimensional Charge Density Wave Order in YBa2Cu3O6.67 at High Magnetic Fields

    Energy Technology Data Exchange (ETDEWEB)

    Gerber, S.; Jang, H.; Nojiri, H.; Matsuzawa, S.; Yasumura, H.; Bonn, D. A.; Liang, R.; Hardy, W.; Islam, Z.; Lee, W. -S.; Zhu, D.; Lee, J. -S.

    2015-11-20

    Charge density wave (CDW) correlations have been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa2Cu3O6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. The field-induced CDW onsets around the zero-field superconducting transition temperature, yet the incommensurate inplane ordering vector is field-independent. This implies that the two forms of CDW and hightemperature superconductivity are intimately linked.

  16. A two-phase charge-density real-space-pairing model of high-T{sub c} superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Humphreys, C.J. [Cambridge Univ. (United Kingdom). Dept. of Metallurgy and Materials Science

    1999-03-01

    It is usually assumed that high-T{sub c} superconductors have a periodic band structure and a periodic charge density, although amorphous low-T{sub c} superconductors are known. In this paper, it is suggested that the CuO{sub 2} conduction planes of cuprate superconductors consist of regions of two different charge densities which do not normally repeat periodically. It is suggested that the pairing of holes occurs in real space in cuprate superconductors. It is proposed that the hole-pairing mechanism is magnetic exchange coupling and the pairing force is strong, the pairing energy being greater than kT at room temperature. The bound hole pair is essentially a bipolaron. A real-space model is very tentatively suggested in which the CuO{sub 2} planes of YBa{sub 2}Cu{sub 3}O{sub 7} contain nanodomains of a 3 x 3 hole lattice surrounded by interfaces one unit cell wide in which the holes are paired. In the superconducting state in this model, the existing hole pairs condense and move coherently and collectively around the insulating nanodomains, like trams running around blocks of houses, with one hole on each tramline. The hole pairs move in an elegant manner with hole pairs hopping from oxygen to oxygen via adjacent copper sites. The model explains the superconducting current being in the ab plane and it also explains the very short coherence lengths. Because the pairing force is strong, the model suggests that room-temperature superconductivity might be possible in carefully designed new oxide materials. (orig.) 22 refs.

  17. A two-phase charge-density real-space-pairing model of high-Tc superconductivity.

    Science.gov (United States)

    Humphreys

    1999-03-01

    It is usually assumed that high-T(c) superconductors have a periodic band structure and a periodic charge density, although amorphous low-T(c) superconductors are known. In this paper, it is suggested that the CuO(2) conduction planes of cuprate superconductors consist of regions of two different charge densities which do not normally repeat periodically. It is suggested that the pairing of holes occurs in real space in cuprate superconductors. It is proposed that the hole-pairing mechanism is magnetic exchange coupling and the pairing force is strong, the pairing energy being greater than kT at room temperature. The bound hole pair is essentially a bipolaron. A real-space model is very tentatively suggested in which the CuO(2) planes of YBa(2)Cu(3)O(7) contain nanodomains of a 3 x 3 hole lattice surrounded by interfaces one unit cell wide in which the holes are paired. In the superconducting state in this model, the existing hole pairs condense and move coherently and collectively around the insulating nanodomains, like trams running around blocks of houses, with one hole on each tramline. The hole pairs move in an elegant manner with hole pairs hopping from oxygen to oxygen via adjacent copper sites. The model explains the superconducting current being in the ab plane and it also explains the very short coherence lengths. Because the pairing force is strong, the model suggests that room-temperature superconductivity might be possible in carefully designed new oxide materials.

  18. 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.

  19. Realistic calculation of the low- and high-density liquid phase separation in a charged colloidal dispersion

    Science.gov (United States)

    Lai, S. K.; Peng, W. P.; Wang, G. F.

    2001-04-01

    A realistic statistical-mechanics model is applied to describe the repulsive interaction between charged colloids. The latter, in combination with the long-range van der Waals attraction simulated under excess salt environment, gives rise to a total intercolloidal particle potential showing a clear second potential minimum. Differing from the usual Derjaguin-Landau-Verwey-Overbeek (DLVO) model, the present model is valid at any finite concentration of colloids and is thus an appropriate model for investigating the low- and high-density liquid phase transition. Employing this two-body colloid-colloid potential and in conjunction with the Weeks-Chandler-Andersen [J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)] thermodynamic perturbation theory, we derive analytical expressions for the pressure, chemical potential, and related thermodynamic functions. These thermodynamic quantities were used to calculate the phase diagrams of charged colloidal dispersions in terms of the critical parameters: temperature, volume fraction, and electrolyte concentration parameter kD. Compared with the DLVO model, we find the areas enclosed within the spinodal decomposition and also the liquid-liquid coexistence curves broader in the present model for an excess salt condition κ=kDσ0300, the disparities between the two models reduce. The same thermodynamic perturbation theory has been employed to study also the weak reversible coagulation whose physical origin is attributed to the presence of the second potential minimum. We examine various colloidal parameters that affect the structure of the latter and deduce from our analysis the conditions of colloidal stability. In comparison with the measured flocculation data for a binary mixture of polystyrene lattices and water, we find that our calculated results are generally reasonable, thus lending great credence to the presently used model.

  20. EFFECT OF RADIATION ON HIGH-CHARGE-DENSITY POLYDIALLY-DIMETHYL AMMONIUM CHLORIDE IN DILUTE AQUEOUS SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Ya-long Zhang; Min Yi; Jing Ren; Hong-fei Ha

    2003-01-01

    The effect of radiation on high-charge-density cationic polymer, polydiallyl-dimethyl ammonium chloride (polyDADMAC), in dilute aqueous solution was investigated. The irradiated samples were characterized in terms of reduced viscosity and electric conductivity. The crosslinking reaction of polyDADMAC chains occurs preferentially in the irradiated samples at a concentration of polyDADMAC higher than 1.3 g/100 mL that was induced indirectly by the OH radicals, one of the radiolysis products of water. In more dilute samples (less than 0.8 g/100 mL) the chain scission of macro radicals appears to be the main reaction. N2O atmosphere enhances the erosslinking due to the extra OH radicals produced by reaction between N2O and eaq, another radiolysis products of water. Methanol and some mineral salts such as KC1, KBr inhibit the crosslinking to a certain extent. The mechanism of sensitization and inhibition is discussed in detail.

  1. Thermoelectric studies of charge density wave dynamics.

    Science.gov (United States)

    McDonald, Ross; Harrison, Neil; Singleton, John

    2008-03-01

    The conventional pyroelectric effect is intimately connected to the symmetry, or rather lack of center of symmetry, of the material. Although the experiments we discuss involve studies of low symmetry materials, the pyroelectric currents observed are of an entirely new origin. Systems with broken-translational-symmetry phases that incorporate orbital quantization can exhibit significant departures from thermodynamic equilibrium due to a change in magnetic induction. For charge density wave systems, this metastable state consists of a balance between the density-wave pinning force and the Lorentz force on the extended currents due to the drift of cyclotron orbits. In this way the density wave pinning potential plays a similar role to the edge potential in a two-dimensional electron gas, leading to a large Hall angle and quantization of the Hall resistance. A thermal perturbation that reduces the pinning potential returns the system towards thermal equilibrium, via a phason avalanche orthogonal to the sample surface. The observation of this new form of pyroelectric effect in the high magnetic field phase (B > 30 T) of the organic charge transfer salt α-(BEDT-TTF)2KHg(SCN)4, thus provides a measure of the phason thermopower.

  2. Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources

    Science.gov (United States)

    Odorici, F.; Malferrari, L.; Montanari, A.; Rizzoli, R.; Mascali, D.; Castro, G.; Celona, L.; Gammino, S.; Neri, L.

    2016-02-01

    Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to "screen" the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

  3. Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Odorici, F., E-mail: fabrizio.odorici@bo.infn.it; Malferrari, L.; Montanari, A. [INFN—Bologna, Viale B. Pichat, 6/2, 40127 Bologna (Italy); Rizzoli, R. [INFN—Bologna, Viale B. Pichat, 6/2, 40127 Bologna (Italy); CNR–Istituto per la Microelettronica ed i Microsistemi, Via Gobetti 101, 40129 Bologna (Italy); Mascali, D.; Castro, G.; Celona, L.; Gammino, S.; Neri, L. [INFN–Laboratori Nazionali del Sud, Via S. Sofia 62, 95125 Catania (Italy)

    2016-02-15

    Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to “screen” the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

  4. Extraction of high charge density of states in electrolyte-gated polymer thin-film transistor with temperature-dependent measurements

    Science.gov (United States)

    Lee, Jiyoul

    2016-05-01

    Using temperature-dependent charge transport measurements, we investigated spectral density of states (DOS) in the bandgap of polythiophene thin-films under high carrier densities (Meyer-Neldel rule. The spectral DOS extracted from the electrolyte-gated polymer film lie in the range of 8.0 × 1019 cm-3 eV-1-8.0 × 1021 cm-3 eV-1, which are at least two orders of magnitude larger than the DOS extracted from the same polymer film at relatively low induced carrier densities by general oxide dielectrics.

  5. Bonding charge density from atomic perturbations.

    Science.gov (United States)

    Wang, Yi; Wang, William Yi; Chen, Long-Qing; Liu, Zi-Kui

    2015-05-15

    Charge transfer among individual atoms is the key concept in modern electronic theory of chemical bonding. In this work, we present a first-principles approach to calculating the charge transfer. Based on the effects of perturbations of an individual atom or a group of atoms on the electron charge density, we determine unambiguously the amount of electron charge associated with a particular atom or a group of atoms. We computed the topological electron loss versus gain using ethylene, graphene, MgO, and SrTiO3 as examples. Our results verify the nature of chemical bonds in these materials at the atomic level.

  6. Mismatch of dielectric constants at the interface of nanometer metal-oxide-semiconductor devices with high- gate dielectric impacts on the inversion charge density

    Indian Academy of Sciences (India)

    Ling-Feng Mao

    2011-04-01

    The comparison of the inversion electron density between a nanometer metal-oxidesemiconductor (MOS) device with high- gate dielectric and a SiO2 MOS device with the same equivalent oxide thickness has been discussed. A fully self-consistent solution of the coupled Schrödinger–Poisson equations demonstrates that a larger dielectric-constant mismatch between the gate dielectric and silicon substrate can reduce electron density in the channel of a MOS device under inversion bias. Such a reduction in inversion electron density of the channel will increase with increase in gate voltage. A reduction in the charge density implies a reduction in the inversion electron density in the channel of a MOS device. It also implies that a larger dielectric constant of the gate dielectric might result in a reduction in the source–drain current and the gate leakage current.

  7. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    M Büttiker

    2002-02-01

    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 of states play a prominent role in measurements with a scanning tunneling microscope on multiprobe conductors in the presence of current flow. The partial density of states determine the degree of dephasing generated by a weakly coupled voltage probe. In addition the partial density of states determine the frequency-dependent response of mesoscopic conductors in the presence of slowly oscillating voltages applied to the contacts of the sample. The partial density of states permit the formulation of a Friedel sum rule which can be applied locally. We introduce the off-diagonal elements of the partial density of states matrix to describe charge fluctuation processes. This generalization leads to a local Wigner–Smith life-time matrix.

  8. WSN-Based Space Charge Density Measurement System.

    Science.gov (United States)

    Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

    2017-01-01

    It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density.

  9. 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.

  10. 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.

  11. Competition between superconductivity and charge density waves

    Science.gov (United States)

    Kim, Ki-Seok

    2007-02-01

    We derive an effective field theory for the competition between superconductivity (SC) and charge density waves (CDWs) by employing the SO(3) pseudospin representation of the SC and CDW order parameters. One important feature in the effective nonlinear σ model is the emergence of a Berry phase even at half filling, originating from the competition between SC and CDWs, i.e., the pseudospin symmetry. A-well known conflict between the previous studies of Oshikawa [Phys. Rev. Lett. 84, 1535 (2000)] and Lee and Shankar [Phys. Rev. Lett. 65, 1490 (1990)] is resolved by the appearance of the Berry phase. The Berry phase contribution allows a deconfined quantum critical point of fractionalized charge excitations with e instead of 2e in the SC-CDW quantum transition at half filling. Furthermore, we investigate the stability of the deconfined quantum criticality against quenched randomness by performing a renormalization group analysis of an effective vortex action. We argue that, although randomness results in a weak disorder fixed point differing from the original deconfined quantum critical point, deconfinement of the fractionalized charge excitations still survives at the disorder fixed point owing to a nonzero fixed point value of the vortex charge.

  12. High Voltage Charge Pump

    KAUST Repository

    Emira, Ahmed A.

    2014-10-09

    Various embodiments of a high voltage charge pump are described. One embodiment is a charge pump circuit that comprises a plurality of switching stages each including a clock input, a clock input inverse, a clock output, and a clock output inverse. The circuit further comprises a plurality of pumping capacitors, wherein one or more pumping capacitors are coupled to a corresponding switching stage. The circuit also comprises a maximum selection circuit coupled to a last switching stage among the plurality of switching stages, the maximum selection circuit configured to filter noise on the output clock and the output clock inverse of the last switching stage, the maximum selection circuit further configured to generate a DC output voltage based on the output clock and the output clock inverse of the last switching stage.

  13. The Second Threshold Field of Charge-Density-Wave Conductor Rb0.3MoO3 in High Temperature Range

    Institute of Scientific and Technical Information of China (English)

    LI Da-Hua; XIONG Rui; WANG Jun-Feng; LI Chang-Zhen; YIN Di; YI Fan; TANG Wu-Feng; SHI Jing

    2005-01-01

    @@ The switching and threshold properties of quasi-one-dimensional charge-density-wave conductor rubidium blue bronze Rb0.3MoO3 single crystals are investigated in a comparative high and large temperature range. Beyond the limit temperature 50 K of Littlewood's theory, even up to about 100K, typical sharp switching to negative or zero differential resistance is observed in E-I characteristic curves. Correspondingly, an obvious switching between two conducting states, from a lowly conducting state to a highly conducting state, is observed in the I-E characteristic curves in the same temperature range. Temperature dependence of the second threshold field ET2 accompanied by this kind of high field switching behaviour is firstly obtained. These new observations are discussed in the mechanism of the current inhomogeneity and redistribution due to the existence of transverse energy barriers suggested by Zhang et al. [Solid State Commun. 85 (1993) 121

  14. Contributions of charge-density research to medicinal chemistry

    Directory of Open Access Journals (Sweden)

    Birger Dittrich

    2014-11-01

    Full Text Available This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, interaction density is discussed as an idealized situation resembling drug–receptor interactions. Scattering-factor databases play an increasing role in charge-density research, and they can be applied both to small-molecule and macromolecular structures in refinement and analysis; software development facilitates their use. Therefore combining both of these complementary branches of X-ray crystallography is recommended, and examples are given where such a combination already proved useful. On the side of the experiment, new pixel detectors are allowing rapid measurements, thereby enabling both high-throughput small-molecule studies and macromolecular structure determination to higher resolutions. Currently, the most ambitious studies compute intermolecular interaction energies of drug–receptor complexes, and it is recommended that future studies benefit from recent method developments. Selected new developments in theoretical charge-density studies are discussed with emphasis on its symbiotic relation to crystallography.

  15. 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.

  16. Charge Exchange Effect on Space-Charge-Limited Current Densities in Ion Diode

    Institute of Scientific and Technical Information of China (English)

    石磊

    2002-01-01

    The article theoretically studied the charge-exchange effects on space charge limited electron and ion current densities of non-relativistic one-dimensional slab ion diode, and compared with those of without charge exchange.

  17. An experimental charge density of HEPES.

    Science.gov (United States)

    Sledź, Paweł; Kamiński, Radosław; Chruszcz, Maksymilian; Zimmerman, Matthew D; Minor, Wladek; Woźniak, Krzysztof

    2010-08-01

    We report the experimental charge density of HEPES [4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid], which is a common buffering agent. The structure was refined using the Hansen-Coppens formalism. The ability of the HEPES molecule to form stable intermolecular interactions and intermolecular hydrogen bonds in the crystal structure is discussed in terms of its buffering properties. The protonation mode observed in the crystal structure is different from that expected in solution, suggesting that additional factors must be taken into consideration in order to explain the solution properties of the compound. As ordered HEPES molecules are found in the active sites of proteins in several protein crystal structures, our results will allow for quantitative analysis of the electrostatic potential of the interacting surfaces of those proteins.

  18. Charge density study of two FeS2 polymorphs

    DEFF Research Database (Denmark)

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

    Experimental charge density studies of inorganic solids have proven to be a difficult task due to systematic errors related to data collection such as absorption and extinction; however, the use of synchrotron radiation has the potential to minimize these problems. [1] One of the pioneering...... 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...

  19. Study of the Charge Density Control Method Including the Space Charge Effect in the Proton Synchrotron

    Science.gov (United States)

    Kato, Shinichi; Harada, Hiroyuki; Hotchi, Hideaki; Okabe, Kota; Yamamoto, Kazami; Kinsho, Michikazu

    For high intensity proton accelerators, one of the beam loss sources is the incoherent tune spread caused by the space charge force. In the 3 GeV rapid cycling synchrotron of the Japan Proton Accelerator Research Complex, beams are injected sequentially and shifted slightly from the central orbit in order to increase the beam size intentionally and suppress the charge density and incoherent tune spread. This injection method has been adopted and suppressed the beam loss. However, simulations clarified that beams did not spread as much as expected because of the space charge effect in the high current case. As simulation results of the optimized beam shift pattern when the space charge effect is considered, it was obtained that the incoherent tune spread could be suppressed to an extent that has not been achieved previously.

  20. Constructed uninterrupted charge-transfer pathways in three-dimensional micro/nanointerconnected carbon-based electrodes for high energy-density ultralight flexible supercapacitors.

    Science.gov (United States)

    He, Yongmin; Chen, Wanjun; Zhou, Jinyuan; Li, Xiaodong; Tang, Pengyi; Zhang, Zhenxing; Fu, Jiecai; Xie, Erqing

    2014-01-08

    A type of freestanding three-dimensional (3D) micro/nanointerconnected structure, with a conjunction of microsized 3D graphene networks, nanosized 3D carbon nanofiber (CNF) forests, and consequently loaded MnO2 nanosheets, has been designed as the electrodes of an ultralight flexible supercapacitor. The resulting 3D graphene/CNFs/MnO2 composite networks exhibit remarkable flexibility and highly mechanical properties due to good and intimate contacts among them, without current collectors and binders. Simultaneously, this designed 3D micro/nanointerconnected structure can provide an uninterrupted double charges freeway network for both electron and electrolyte ion to minimize electron accumulation and ion-diffusing resistance, leading to an excellent electrochemical performance. The ultrahigh specific capacitance of 946 F/g from cyclic voltammetry (CV) (or 920 F/g from galvanostatic charging/discharging (GCD)) were obtained, which is superior to that of the present electrode materials based on 3D graphene/MnO2 hybrid structure (482 F/g). Furthermore, we have also investigated the superior electrochemical performances of an asymmetric supercapacitor device (weight of less than 12 mg/cm(2) and thickness of ~0.8 mm), showing a total capacitance of 0.33 F/cm(2) at a window voltage of 1.8 V and a maximum energy density of 53.4 W h/kg for driving a digital clock for 42 min. These inspiring performances would make our designed supercapacitors become one of the most promising candidates for the future flexible and lightweight energy storage systems.

  1. Charge transfer in time-dependent density functional theory

    Science.gov (United States)

    Maitra, Neepa T.

    2017-10-01

    Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in their computational modeling, due to its unprecedented balance between accuracy and efficiency. However, although exact in principle, in practise approximations must be made for the exchange-correlation functional in this theory, and the standard functional approximations perform poorly for excitations which have a long-range charge-transfer component. Intense progress has been made in developing more sophisticated functionals for this problem, which we review. We point out an essential difference between the properties of the exchange-correlation kernel needed for an accurate description of charge-transfer between open-shell fragments and between closed-shell fragments. We then turn to charge-transfer dynamics, which, in contrast to the excitation problem, is a highly non-equilibrium, non-perturbative, process involving a transfer of one full electron in space. This turns out to be a much more challenging problem for TDDFT functionals. We describe dynamical step and peak features in the exact functional evolving over time, that are missing in the functionals currently used. The latter underestimate the amount of charge transferred and manifest a spurious shift in the charge transfer resonance position. We discuss some explicit examples.

  2. High energy density aluminum battery

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Gilbert M.; Paranthaman, Mariappan Parans; Dai, Sheng; Dudney, Nancy J.; Manthiram, Arumugan; McIntyre, Timothy J.; Sun, Xiao-Guang; Liu, Hansan

    2016-10-11

    Compositions and methods of making are provided for a high energy density aluminum battery. The battery comprises an anode comprising aluminum metal. The battery further comprises a cathode comprising a material capable of intercalating aluminum or lithium ions during a discharge cycle and deintercalating the aluminum or lithium ions during a charge cycle. The battery further comprises an electrolyte capable of supporting reversible deposition and stripping of aluminum at the anode, and reversible intercalation and deintercalation of aluminum or lithium at the cathode.

  3. High energy density aluminum battery

    Science.gov (United States)

    Brown, Gilbert M.; Paranthaman, Mariappan Parans; Dai, Sheng; Dudney, Nancy J.; Manthiram, Arumugan; McIntyre, Timothy J.; Sun, Xiao-Guang; Liu, Hansan

    2016-10-11

    Compositions and methods of making are provided for a high energy density aluminum battery. The battery comprises an anode comprising aluminum metal. The battery further comprises a cathode comprising a material capable of intercalating aluminum or lithium ions during a discharge cycle and deintercalating the aluminum or lithium ions during a charge cycle. The battery further comprises an electrolyte capable of supporting reversible deposition and stripping of aluminum at the anode, and reversible intercalation and deintercalation of aluminum or lithium at the cathode.

  4. Fast electronic resistance switching involving hidden charge density wave states

    Science.gov (United States)

    Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.; Gospodaric, J.; Mertelj, T.; Svetin, D.; Sutar, P.; Mihailovic, D.

    2016-05-01

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T-TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states.

  5. Coexistence of bulk and surface states probed by Shubnikov-de Haas oscillations in Bi2Se3 with high charge-carrier density

    Science.gov (United States)

    de Vries, E. K.; Pezzini, S.; Meijer, M. J.; Koirala, N.; Salehi, M.; Moon, J.; Oh, S.; Wiedmann, S.; Banerjee, T.

    2017-07-01

    Topological insulators are ideally represented as having an insulating bulk with topologically protected, spin-textured surface states. However, it is increasingly becoming clear that these surface transport channels can be accompanied by a finite conducting bulk, as well as additional topologically trivial surface states. To investigate these parallel conduction transport channels, we studied Shubnikov-de Haas oscillations in Bi2Se3 thin films, in high magnetic fields up to 30 T so as to access channels with a lower mobility. We identify a clear Zeeman-split bulk contribution to the oscillations from a comparison between the charge-carrier densities extracted from the magnetoresistance and the oscillations. Furthermore, our analyses indicate the presence of a two-dimensional state and signatures of additional states the origin of which cannot be conclusively determined. Our findings underpin the necessity of theoretical studies on the origin of and the interplay between these parallel conduction channels for a careful analysis of the material's performance.

  6. 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.

  7. Freezing of low energy excitations in charge density wave glasses.

    Science.gov (United States)

    Staresinic, D; Zaitsev-Zotov, S V; Baklanov, N I; Biljaković, K

    2008-03-07

    Thermally stimulated discharge current measurements were performed to study slow relaxation processes in two canonical charge density wave systems K(0.3)MoO(3) and o-TaS(3). Two relaxation processes were observed and characterized in each system, corroborating the results of dielectric spectroscopy. Our results are consistent with the scenario of the glass transition on the charge density wave superstructure level. In particular, the results directly prove the previously proposed criterion of charge density wave freezing based on the interplay of charge density wave pinning by impurities and screening by free carriers. In addition, we obtained new information on distribution of relaxation parameters, as well as on nonlinear dielectric response both below and above the threshold field for charge density wave sliding.

  8. Effects of charge density and hydrophobicity of poly(amido amine)s for non-viral gene delivery

    NARCIS (Netherlands)

    Piest, Martin; Engbersen, Johan F.J.

    2010-01-01

    High cationic charge densities in polymeric vectors result in tight DNA condensation, leading to small highly positively charged polyplexes which show generally high cellular uptake in vitro. However, high cationic charge densities also introduce membrane-disruptive properties to the polymers, there

  9. Charge density fluctuation of low frequency in a dusty plasma

    Institute of Scientific and Technical Information of China (English)

    李芳; 吕保维; O.Havnes

    1997-01-01

    The charge density fluctuation of low frequency in a dusty plasma, which is derived from the longitudinal dielectric permittivity of the dusty plasma, has been studied by kinetic theory. The results show that the P value, which describes the relative charge density on the dust in the plasma, and the charging frequency of a dust particle Ωc, which describes the ratio of charge changing of the dust particles, determine the character of the charge density fluctuation of low frequency. For a dusty plasma of P<<1, when the charging frequency Ωc is much smaller than the dusty plasma frequency wd, there is a strong charge density fluctuation which is of character of dust acoustic eigen wave. For a dusty plasma of P>>1, when the frequency Ωc, is much larger than wd there are weaker fluctuations with a wide spectrum. The results have been applied to the ionosphere and the range of radius and density of dust particles is found, where a strong charge density fluctuation of low frequency should exist.

  10. High Density Matter

    Directory of Open Access Journals (Sweden)

    Stone J.R.

    2013-12-01

    Full Text Available The microscopic composition and properties of matter at super-saturation densities have been the subject of intense investigation for decades. The scarcity of experimental and observational data has led to the necessary reliance on theoretical models. There remains great uncertainty in these models which, of necessity, have to go beyond the over-simple assumption that high density matter consists only of nucleons and leptons. Heavy strange baryons, mesons and quark matter in different forms and phases have to be included to fulfil basic requirements of fundamental laws of physics. In this contribution latest developments in construction of the Equation of State (EoS of high-density matter at zero and finite temperature assuming different composition of matter will be discussed. Critical comparison of model EoS with available experimental data from heavy ion collisions and observations on neutron stars, including gravitational mass, radii and cooling patterns and data on X-ray burst sources and low mass X-ray binaries are made. Fundamental differences between the EoS of low-density, high temperature matter, such as is created in heavy ion collisions and of high-density, low temperature compact objects is discussed.

  11. VARIOUS REGIMES OF CHARGE-DENSITY WAVES IN LAYERED COMPOUNDS

    NARCIS (Netherlands)

    Bakel, G.P.E.M. van; Hosson, J.Th.M. De

    1992-01-01

    In this paper we have subjected different layered transition-metal dichalcogenides to scanning tunneling microscopy to reveal the electronic charge distribution associated with the charge-density-wave (CDW) part of the superstructure, in addition to the atomic corrugation. The observations presented

  12. Charge and spin fluctuations in the density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Gyoerffy, B.L.; Barbieri, A. (Bristol Univ. (UK). H.H. Wills Physics Lab.); Staunton, J.B. (Warwick Univ., Coventry (UK). Dept. of Physics); Shelton, W.A.; Stocks, G.M. (Oak Ridge National Lab., TN (USA))

    1990-01-01

    We introduce a conceptual framework which allow us to treat charge and spin fluctuations about the Local density Approximation (LDA) to the Density Functional Theory (DFT). We illustrate the approach by explicit study of the Disordered Local Moment (DLM) state in Fe above the Curie Temperature {Tc} and the Mott insulating state in MnO. 27 refs., 6 figs.

  13. The effect of polymer charge density and charge distribution on the formation of multilayers

    CERN Document Server

    Voigt, U; Tauer, K; Hahn, M; Jäger, W; Klitzing, K V

    2003-01-01

    Polyelectrolyte multilayers which are built up by alternating adsorption of polyanions and polycations from aqueous solutions at a solid interface are investigated by reflectometry and ellipsometry. Below a degree of charge of about 70% the adsorption stops after a certain number of dipping cycles and no multilayer formation occurs. This indicates an electrostatically driven adsorption process. Below a charge density of 70% an adsorption can take place if the charged segments are combined as a block of the polymer.

  14. 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....

  15. Nuclear charge radii: Density functional theory meets Bayesian neural networks

    CERN Document Server

    Utama, Raditya; Piekarewicz, Jorge

    2016-01-01

    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. We 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 demonst...

  16. Breathing Charge Density Waves in Intrinsic Josephson Junctions

    OpenAIRE

    Shukrinov, Yu M.; Abdelhafiz, H.

    2013-01-01

    We demonstrate the creation of a charge density wave (CDW) along a stack of coupled Josephson junctions in layered superconductors. Electric charge in each superconducting layer oscillates around some average value, forming a breathing CDW. We show the transformation of a longitudinal plasma wave to CDW in the state corresponding to the outermost branch. Transitions between different types of CDW's related to the inner branches of current voltage characteristics are demonstrated. The effect o...

  17. Charge density of GaAl1-Sb

    Indian Academy of Sciences (India)

    K B Joshi; Nishant N Patel

    2008-02-01

    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 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 charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.

  18. High Density QCD

    CERN Document Server

    Ducati, M B G

    2001-01-01

    The dynamics of high partonic density QCD is presented considering, in the double logarithm approximation, the parton recombination mechanism built in the AGL formalism, developed including unitarity corrections for the nucleon as well for nucleus. It is shown that these corrections are under theoretical control. The resulting non linear evolution equation is solved in the asymptotic regime, and a comprehensive phenomenology concerning Deep Inelastic Scattering like $F_2$, $F_L$, $F_2^c$. $\\partial F_2/ \\partial \\ln Q^2$, $\\partial F^A_2/ \\partial \\ln Q^2$, etc, is presented. The connection of our formalism with the DGLAP and BFKL dynamics, and with other perturbative (K) and non-perturbative (MV-JKLW) approaches is analised in detail. The phenomena of saturation due to shadowing corrections and the relevance of this effect in ion physics and heavy quark production is emphasized. The implications to e-RHIC, HERA-A, and LHC physics and some open questions are mentioned.

  19. 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.

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

    Science.gov (United States)

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

    2016-08-01

    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 been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

  1. Charge density asymmetry of heavy-ion fusion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Poenaru, N.D.; Ivascu, M.; Mazilu, D.; Sandulescu, A. (Institutul de Fizica si Inginerie Nucleara, Bucharest (Romania))

    1980-01-01

    The generalized liquid-drop model replacing surface energy by double folded Yukawa-plus-exponential function is extended for fusion of heavy ions with different charge densities. Calculated interaction barriers for some 58 pairs of nuclei are in good agreement with experimental ones, within -10% and +7%. For even-even beta-stable nuclei with Z =4-104 the general trend of variation of interaction barriers and fusion Q-values show the regions where the charge density asymmetry cannot be neglected. PES for the entrance channel of the reactions /sup 109/Ag + /sup 40/Ar, /sup 138/Ce + /sup 57/Fe, /sup 144/Nd + /sup 84/Kr and the corresponding charge-equilibrated system have been computed.

  2. A topological analysis of charge densities in diamond, silicon and germanium crystals

    Energy Technology Data Exchange (ETDEWEB)

    Abramov, Yu.A. [National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan); Okamura, F.P. [National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan)

    1997-03-01

    The Hansen-Coppens multipole model of charge density has been fitted to highly accurate published experimental and theoretical structure factors for diamond, silicon and germanium crystals. Analysis of both model experimental and theoretical charge densities using the resulting model parameters was performed in terms of Bader`s topological theory. The general topology of the charge density appeared to be identical for all crystals, containing the four possible types of critical points of rank three, and no non-nuclear attractors between neighboring atoms were found within achieved accuracy. Theoretical and experimental values of charge density and its Laplacian show quantitative and semiquantitative agreement, respectively, at the critical points of model charge densities. For Ge crystals, such agreement is worse at the ring critical point. These results suggest the possibility of semiquantitative (within 10-30%) study of the topological characteristics of highly accurate X-ray charge densities of crystals displaying shared interatomic interactions. Comparative topological analysis of the chemical bond in this series of crystals is discussed in terms of the quantum topological theory. (orig.).

  3. C library for topological study of the electronic charge density.

    Science.gov (United States)

    Vega, David; Aray, Yosslen; Rodríguez, Jesús

    2012-12-05

    The topological study of the electronic charge density is useful to obtain information about the kinds of bonds (ionic or covalent) and the atom charges on a molecule or crystal. For this study, it is necessary to calculate, at every space point, the electronic density and its electronic density derivatives values up to second order. In this work, a grid-based method for these calculations is described. The library, implemented for three dimensions, is based on a multidimensional Lagrange interpolation in a regular grid; by differentiating the resulting polynomial, the gradient vector, the Hessian matrix and the Laplacian formulas were obtained for every space point. More complex functions such as the Newton-Raphson method (to find the critical points, where the gradient is null) and the Cash-Karp Runge-Kutta method (used to make the gradient paths) were programmed. As in some crystals, the unit cell has angles different from 90°, the described library includes linear transformations to correct the gradient and Hessian when the grid is distorted (inclined). Functions were also developed to handle grid containing files (grd from DMol® program, CUBE from Gaussian® program and CHGCAR from VASP® program). Each one of these files contains the data for a molecular or crystal electronic property (such as charge density, spin density, electrostatic potential, and others) in a three-dimensional (3D) grid. The library can be adapted to make the topological study in any regular 3D grid by modifying the code of these functions.

  4. The role of effective charges in the electrophoresis of highly charged colloids.

    Science.gov (United States)

    Chatterji, Apratim; Horbach, Jürgen

    2010-12-15

    We study the variation of electrophoretic mobility μ of highly charged spherical colloidal macroions for varying surface charge density σ on the colloid using computer simulations of the primitive model for charged colloids. Hydrodynamic interactions between ions are incorporated by coupling the primitive model of charged colloids to the lattice Boltzmann model (LB) of the fluid. In the highly charged regime, the mobility μ of the colloid is known to decrease with the increase of bare charge Q of the colloid; the aim of this paper is to investigate the cause of this. We have identified that the two main factors contributing to the decrease of μ are counterion charge condensation on the highly charged colloid and an increase in effective friction of the macroion-counterion complex due to the condensed counterions. Thus the established O'Brien and White theory, which identified the dipolar force originating from distortion of the electric double layer as the cause of decreasing μ, seems to break down for the case of highly charged colloids with σ in the range of 30-400 µC cm (- 2). To arrive at our conclusions, we counted the number of counterions q0 moving along with the spherical macroion. We observe in our simulations that q0 increases with the increase of bare charge Q, such that the effective charge Qeff = Q - q0 remains approximately constant. Interestingly for our nanometer-sized charged colloid, we observe that, if surface charge density σ of the colloid is increased by decreasing the radius RM of the colloid but fixed bare charge Q, the effective charge Q - q0 decreases with the increase of σ. This behavior is qualitatively different when σ is increased by increasing Q keeping RM fixed. Our observations address a controversy about the effective charge of a strongly charged macroion: some studies claim that effective charge is independent of the bare charge (Alexander et al 1984 J. Chem. Phys. 80 5776; Trizac et al 2003 Langmuir 19 4027) whereas

  5. Determination of Transverse Charge Density from Kaon Form Factor Data

    Science.gov (United States)

    Mejia-Ott, Johann; Horn, Tanja; Pegg, Ian; Mecholski, Nicholas; Carmignotto, Marco; Ali, Salina

    2016-09-01

    At the level of nucleons making up atomic nuclei, among subatomic particles made up of quarks, K-mesons or kaons represent the most simple hadronic system including the heavier strange quark, having a relatively elementary bound state of a quark and an anti-quark as its valence structure. Its electromagnetic structure is then parametrized by a single, dimensionless quantity known as the form factor, the two-dimensional Fourier transform of which yields the quantity of transverse charge density. Transverse charge density, in turn, provides a needed framework for the interpretation of form factors in terms of physical charge and magnetization, both with respect to the propagation of a fast-moving nucleon. To this is added the value of strange quarks in ultimately presenting a universal, process-independent description of nucleons, further augmenting the importance of studying the kaon's internal structure. The pressing character of such research questions directs the present paper, describing the first extraction of transverse charge density from electromagnetic kaon form factor data. The extraction is notably extended to form factor data at recently acquired higher energy levels, whose evaluation could permit more complete phenomenological models for kaon behavior to be proposed. This work was supported in part by NSF Grant PHY-1306227.

  6. Highly Charged Clusters of Fullerenes: Charge Mobility and Appearance Sizes

    Science.gov (United States)

    Manil, B.; Maunoury, L.; Huber, B. A.; Jensen, J.; Schmidt, H. T.; Zettergren, H.; Cederquist, H.; Tomita, S.; Hvelplund, P.

    2003-11-01

    Clusters of fullerenes (C60,C70)n are produced in a gas aggregation source and are multiply ionized in collisions with highly charged Xe20+,30+ ions. Their stabilities and decay processes are analyzed with high-resolution time-of-flight mass spectrometry. Fullerene clusters in charge states up to q=5 have been observed and appearance sizes are found to be as small as napp=5, 10, 21, and 33 for q=2, 3, 4, and 5, respectively. The analysis of the multicoincident fragmentation spectra indicates a high charge mobility. This is in contrast to charge localization effects which have been reported for Arq+n rare gas clusters. Clusters of fullerenes are found to be conducting when multiply charged.

  7. 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...

  8. Geometric interpretation of density displacements and charge sensitivities

    Indian Academy of Sciences (India)

    Roman F Nalewajski

    2005-09-01

    The ``geometric” interpretation of the electronic density displacements in the Hilbert space is given and the associated projection-operator partitioning of the hardness and softness operators (kernels) is developed. The eigenvectors |á 〉 = \\{| 〉 \\} of the hardness operator define the complete (identity) projector $\\hat{P}$ = | 〉 〈 = 1 for general density displacements, including the charge-transfer (CT) component, while the eigenvectors | i 〉 = { | 〉} of the linear response operator determine the polarizational -projector, $\\hat{P}$ = | 〉 〈 |. Their difference thus defines the complementary CT-projector: $\\hat{P}$ = 1 - $\\hat{P}$. The complete vector space for density displacements can be also spanned by supplementing the -modes with the homogeneous CT-mode. These subspaces separate the integral (normalization) and local aspects of density shifts in molecular systems.

  9. Magnetothermopower and Nernst effect in unconventional charge density waves

    Science.gov (United States)

    Dóra, Balázs; Maki, Kazumi; Ványolos, András; Virosztek, Attila

    2003-12-01

    Recently we have shown that the striking angular dependent magnetoresistance in the low-temperature phase (LTP) of α-(BEDT-TTF)2KHg(SCN)4 is consistently described in terms of unconventional charge density wave (UCDW). Here we investigate theoretically the thermoelectric power and the Nernst effect in unconventional density wave (UDW). The present results account consistently for the recent data of magnetothermopower in α-(BEDT-TTF)2KHg(SCN)4 obtained by Choi et al. [Phys. Rev. B 65, 205119 (2002)]. This confirms further our identification of LTP in this salt as UCDW. We propose also that the Nernst effect provides a clear signature of UDW.

  10. 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.

  11. Charge, density and electron temperature in a molecular ultracold plasma

    CERN Document Server

    Rennick, C J; Ortega-Arroyo, J; Godin, P J; Grant, E R

    2009-01-01

    A Rydberg gas of NO entrained in a supersonic molecular beam releases electrons as it evolves to form an ultracold plasma. The size of this signal, compared with that extracted by the subsequent application of a pulsed electric field, determines the absolute magnitude of the plasma charge. This information, combined with the number density of ions, supports a simple thermochemical model that explains the evolution of the plasma to an ultracold electron temperature.

  12. Thermal Rounding of the Charge Density Wave Depinning Transition

    OpenAIRE

    Middleton, A. Alan

    1992-01-01

    The rounding of the charge density wave depinning transition by thermal noise is examined. Hops by localized modes over small barriers trigger ``avalanches'', resulting in a creep velocity much larger than that expected from comparing thermal energies with typical barriers. For a field equal to the $T=0$ depinning field, the creep velocity is predicted to have a {\\em power-law} dependence on the temperature $T$; numerical computations confirm this result. The predicted order of magnitude of t...

  13. Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations

    Science.gov (United States)

    Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

    2016-10-01

    Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m :-n electrolyte. A perturbation series is developed in terms of g =4 π κ b , where b a n d 1 /κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m ≠n ), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

  14. Cooling of highly charged ions in a Penning trap

    Energy Technology Data Exchange (ETDEWEB)

    Gruber, L

    2000-03-31

    Highly charged ions are extracted from an electron beam ion trap and guided to Retrap, a cryogenic Penning trap, where they are merged with laser cooled Be{sup +} ions. The Be{sup +} ions act as a coolant for the hot highly charged ions and their temperature is dropped by about 8 orders of magnitude in a few seconds. Such cold highly charged ions form a strongly coupled nonneutral plasma exhibiting, under such conditions, the aggregation of clusters and crystals. Given the right mixture, these plasmas can be studied as analogues of high density plasmas like white dwarf interiors, and potentially can lead to the development of cold highly charged ion beams for applications in nanotechnology. Due to the virtually non existent Doppler broadening, spectroscopy on highly charged ions can be performed to an unprecedented precision. The density and the temperature of the Be{sup +} plasma were measured and highly charged ions were sympathetically cooled to similar temperatures. Molecular dynamics simulations confirmed the shape, temperature and density of the highly charged ions. Ordered structures were observed in the simulations.

  15. Dynamical charge density waves rule the phase diagram of cuprates

    Science.gov (United States)

    Caprara, S.; Di Castro, C.; Seibold, G.; Grilli, M.

    2017-06-01

    In the last few years, charge density waves (CDWs) have been ubiquitously observed in high-temperature superconducting cuprates and are now the most investigated among the competing orders in the still hot debate on these systems. A wealth of new experimental data raises several fundamental issues that challenge the various theoretical proposals. We here relate our mean-field instability line TCDW0 of a strongly correlated Fermi liquid to the pseudogap T*(p ) line, marking in this way the onset of CDW-fluctuations. These fluctuations reduce strongly the mean-field critical line. Controlling this reduction via an infrared frequency cutoff related to the characteristic time of the probes, we account for the complex experimental temperature versus doping phase diagram. We provide a coherent scenario explaining why different CDW onset curves are observed by different experimental probes and seem to extrapolate at zero temperature into seemingly different quantum critical points (QCPs) in the intermediate and overdoped region. The nearly singular anisotropic scattering mediated by these fluctuations also accounts for the rapid changes of the Hall number seen in experiments and provides the first necessary step for a possible Fermi surface reconstruction fully establishing at lower doping. Finally, we show that phase fluctuations of the CDWs, which are enhanced in the presence of strong correlations near the Mott insulating phase, naturally account for the disappearance of the CDWs at low doping with yet another QCP as seen by the experiments.

  16. d-Density Wave Scenario Description of the New Hidden Charge Order in Cuprates

    Science.gov (United States)

    Makhfudz, Imam

    2016-06-01

    In this paper, we show that the theory of high Tc superconductivity based on a microscopic model with d-density wave (DDW) scenario in the pseudogap phase is able to reproduce some of the most important features of the recent experimentally discovered hidden charge order in several families of Cuprates. In particular, by computing and comparing energies of charge orders of different modulation directions derived from a full microscopic theory with d-density wave scenario, the axial charge order ϕX(Y) with wavevector Q = (Q0,0)((0,Q0)) is shown to be unambiguously energetically more favorable over the diagonal charge order ϕX±Y with wavevector Q = (Q0, ± Q0) at least in commensurate limit, to be expected also to hold even to more general incommensurate case, in agreement with experiment. The two types of axial charge order ϕX and ϕY are degenerate by symmetry. We find that within the superconducting background, biaxial (checkerboard) charge order is energetically more favorable than uniaxial (stripe) charge order, and therefore checkerboard axial charge order should be the one observed in experiments, assuming a single domain of charge ordered state on each CuO2 plane.

  17. Spectroscopy with trapped highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P

    2008-01-23

    We give an overview of atomic spectroscopy performed on electron beam ion traps at various locations throughout the world. Spectroscopy at these facilities contributes to various areas of science and engineering, including but not limited to basic atomic physics, astrophysics, extreme ultraviolet lithography, and the development of density and temperature diagnostics of fusion plasmas. These contributions are accomplished by generating, for example, spectral surveys, making precise radiative lifetime measurements, accounting for radiative power emitted in a given wavelength band, illucidating isotopic effects, and testing collisional-radiative models. While spectroscopy with electron beam ion traps had originally focused on the x-ray emission from highly charged ions interacting with the electron beam, the operating modes of such devices have expanded to study radiation in almost all wavelength bands from the visible to the hard x-ray region; and at several facilities the ions can be studied even in the absence of an electron beam. Photon emission after charge exchange or laser excitation has been observed, and the work is no longer restricted to highly charged ions. Much of the experimental capabilities are unique to electron beam ion traps, and the work performed with these devices cannot be undertaken elsewhere. However, in other areas the work on electron beam ion traps rivals the spectroscopy performed with conventional ion traps or heavy-ion storage rings. The examples we present highlight many of the capabilities of the existing electron beam ion traps and their contributions to physics.

  18. High dynamic range charge measurements

    Energy Technology Data Exchange (ETDEWEB)

    De Geronimo, Gianluigi

    2012-09-04

    A charge amplifier for use in radiation sensing includes an amplifier, at least one switch, and at least one capacitor. The switch selectively couples the input of the switch to one of at least two voltages. The capacitor is electrically coupled in series between the input of the amplifier and the input of the switch. The capacitor is electrically coupled to the input of the amplifier without a switch coupled therebetween. A method of measuring charge in radiation sensing includes selectively diverting charge from an input of an amplifier to an input of at least one capacitor by selectively coupling an output of the at least one capacitor to one of at least two voltages. The input of the at least one capacitor is operatively coupled to the input of the amplifier without a switch coupled therebetween. The method also includes calculating a total charge based on a sum of the amplified charge and the diverted charge.

  19. Realizing vector meson dominance with transverse charge densities

    CERN Document Server

    Miller, G A; Weiss, C

    2011-01-01

    The transverse charge density in a fast-moving nucleon is represented as a dispersion integral of the imaginary part of the Dirac form factor in the timelike region (spectral function). At a given transverse distance b the integration effectively extends over energies in a range sqrt{t} ~< 1/b, with exponential suppression of larger values. The transverse charge density at peripheral distances thus acts as a low-pass filter for the spectral function and allows one to select energy regions dominated by specific t-channel states, corresponding to definite exchange mechanisms in the spacelike form factor. We show that distances b ~ 0.5 - 1.5 fm in the isovector density are maximally sensitive to the rho meson region, with only a ~10% contribution from higher-mass states. Soft-pion exchange governed by chiral dynamics becomes relevant only at larger distances. In the isoscalar density higher-mass states beyond the omega are comparatively more important. The dispersion approach suggests that the positive transv...

  20. High density photovoltaic

    Energy Technology Data Exchange (ETDEWEB)

    Haigh, R.E.; Jacobson, G.F.; Wojtczuk, S. [Spire Corp., Bedford, MA (United States)

    1997-10-14

    Photovoltaic technology can directly generate high voltages in a solid state material through the series interconnect of many photovoltaic diodes. We are investigating the feasibility of developing an electrically isolated, high-voltage power supply using miniature photovoltaic devices that convert optical energy to electrical energy.

  1. Production of High-Intensity, Highly Charged Ions

    CERN Document Server

    Gammino, S

    2013-01-01

    In the past three decades, the development of nuclear physics facilities for fundamental and applied science purposes has required an increasing current of multicharged ion beams. Multiple ionization implies the formation of dense and energetic plasmas, which, in turn, requires specific plasma trapping configurations. Two types of ion source have been able to produce very high charge states in a reliable and reproducible way: electron beam ion sources (EBIS) and electron cyclotron resonance ion sources (ECRIS). Multiple ionization is also obtained in laser-generated plasmas (laser ion sources (LIS)), where the high-energy electrons and the extremely high electron density allow step-by-step ionization, but the reproducibility is poor. This chapter discusses the atomic physics background at the basis of the production of highly charged ions and describes the scientific and technological features of the most advanced ion sources. Particular attention is paid to ECRIS and the latest developments, since they now r...

  2. Charge Order Induced in an Orbital Density-Wave State

    Science.gov (United States)

    Singh, Dheeraj Kumar; Takimoto, Tetsuya

    2016-04-01

    Motivated by recent angle resolved photoemission measurements [D. V. Evtushinsky et al., Phys. Rev. Lett. 105, 147201 (2010)] and evidence of the density-wave state for the charge and orbital ordering [J. García et al., Phys. Rev. Lett. 109, 107202 (2012)] in La0.5Sr1.5MnO4, the issue of charge and orbital ordering in a two-orbital tight-binding model for layered manganite near half doping is revisited. We find that the charge order with the ordering wavevector 2{Q} = (π ,π ) is induced by the orbital order of d-/d+-type having B1g representation with a different ordering wavevector Q, where the orbital order as the primary order results from the strong Fermi-surface nesting. It is shown that the induced charge order parameter develops according to TCO - T by decreasing the temperature below the orbital ordering temperature TCO, in addition to the usual mean-field behavior of the orbital order parameter. Moreover, the same orbital order is found to stabilize the CE-type spin arrangement observed experimentally below TCE < TCO.

  3. Charge-density waves physics revealed by photoconduction

    Energy Technology Data Exchange (ETDEWEB)

    Zaitsev-Zotov, S.V., E-mail: serzz@cplire.ru [Kotel' nikov Institute of Radio-engineering and Electronics of the RAS, 125009 Moscow (Russian Federation); Moscow Institute of Physics and Technology, 141700 Dolgoprudny (Russian Federation); Nasretdinova, V.F.; Minakova, V.E. [Kotel' nikov Institute of Radio-engineering and Electronics of the RAS, 125009 Moscow (Russian Federation)

    2015-03-01

    The results of photoconduction study of the Peierls conductors are reviewed. The studied materials are quasi-one-dimensional conductors with the charge-density wave: K{sub 0.3}MoO{sub 3}, both monoclinic and orthorhombic TaS{sub 3} and also a semiconducting phase of NbS{sub 3} (phase I). Experimental methods, relaxation times, effects of illumination on linear and nonlinear charge transport, the electric-field effect on photoconduction and results of the spectral studies are described. We demonstrate, in particular, that a simple model of modulated energy gap slightly smoothed by fluctuations fits the available spectral data fairly well. The level of the fluctuations is surprisingly small and does not exceed a few percent of the optical energy gap value.

  4. Surface modification for polystyrene colloidal particles with controlled charge densities.

    Science.gov (United States)

    Lee, Jongman; Kwon, Oh-Sun; Shin, Kwanwoo; Song, Ju-Myung; Kim, Joon-Seop; Seo, Young-Soo; Tael, Giyoong; Jon, Sangyong

    2007-11-01

    A significant amount of polystyrene sulfonated acid (PSSA) and poly(styrene-ran-acrylic acid) (PSAA) random copolymer can be adsorbed by dispersion of PS particles via a swelling-quenching process. A THF-water mixed solvent was used in the swelling process and a large amount of pure water was used, to give a low concentration of THF% in quenching process. Our results showed that functional PSSA groups were randomly and tightly adsorbed to the PS particles. When the mol.% of charged segments was increased, the progressive adsorption of PSSA chains to the PS particles leads to an increase in the electrophoretic mobility and zeta-potential of aqueous dispersions. Thus, we were able to obtain well-distributed surface charge density on the PS particles.

  5. High Energy Density Capacitors Project

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA?s future space science missions cannot be realized without the state of the art energy storage devices which require high energy density, high reliability, and...

  6. Charge-carrier mobilities in disordered semiconducting polymers: effects of carrier density and electric field

    Science.gov (United States)

    Meisel, K. D.; Pasveer, W. F.; Cottaar, J.; Tanase, C.; Coehoorn, R.; Bobbert, P. A.; Blom, P. W. M.; de Leeuw, D. M.; Michels, M. A. J.

    2006-02-01

    We model charge transport in disordered semiconducting polymers by hopping of charge carriers on a square lattice of sites with Gaussian on-site energy disorder, using Fermi-Dirac statistics. From numerically exact solutions of the Master equation, we study the dependence of the charge-carrier mobility on temperature, carrier density, and electric field. Our results are used in calculating current-voltage characteristics of hole-only polymer diodes. It is found that very good fits to experimental current-voltage characteristics can be obtained at different temperatures, with reasonable fitting parameters for the width of the Gaussian density of states and the lattice constant. In agreement with the experiments we find that the density dependence is dominant over the field dependence. Only at high fields and low temperatures the field dependence becomes noticeable. The potential and current distribution show strong inhomogeneities, which may have important consequences for the operation of polymer opto-electronic devices.

  7. 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...... approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity...... been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new...

  8. Shells of charge: a density functional theory for charged hard spheres.

    Science.gov (United States)

    Roth, Roland; Gillespie, Dirk

    2016-06-22

    A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect 'functionalizes' the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences.

  9. Shells of charge: a density functional theory for charged hard spheres

    Science.gov (United States)

    Roth, Roland; Gillespie, Dirk

    2016-06-01

    A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect ‘functionalizes’ the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences.

  10. Photoemission spectra of charge density wave states in cuprates

    Science.gov (United States)

    Tu, Wei-Lin; Chen, Peng-Jen; Lee, Ting-Kuo

    Angle-resolved photoemission spectroscopy(ARPES) experiments have reported many exotic properties of cuprates, such as Fermi arc at normal state, two gaps at superconducting state and particle-hole asymmetry at the antinodal direction. On the other hand, a number of inhomogeneous states or so-called charge density waves(CDW) states have also been discovered in cuprates by many experimental groups. The relation between these CDW states and ARPES spectra is unclear. With the help of Gutzwiller projected mean-field theory, we can reproduce the quasiparticle spectra in momentum space. The spectra show strong correspondence to the experimental data with afore-mentioned exotic features in it.

  11. 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.

  12. Photoinduced Enhancement of the Charge Density Wave Amplitude

    Science.gov (United States)

    Singer, A.; Patel, S. K. K.; Kukreja, R.; Uhlíř, V.; Wingert, J.; Festersen, S.; Zhu, D.; Glownia, J. M.; Lemke, H. T.; Nelson, S.; Kozina, M.; Rossnagel, K.; Bauer, M.; Murphy, B. M.; Magnussen, O. M.; Fullerton, E. E.; Shpyrko, O. G.

    2016-07-01

    Symmetry breaking and the emergence of order is one of the most fascinating phenomena in condensed matter physics. It leads to a plethora of intriguing ground states found in antiferromagnets, Mott insulators, superconductors, and density-wave systems. Exploiting states of matter far from equilibrium can provide even more striking routes to symmetry-lowered, ordered states. Here, we demonstrate for the case of elemental chromium that moderate ultrafast photoexcitation can transiently enhance the charge-density-wave (CDW) amplitude by up to 30% above its equilibrium value, while strong excitations lead to an oscillating, large-amplitude CDW state that persists above the equilibrium transition temperature. Both effects result from dynamic electron-phonon interactions, providing an efficient mechanism to selectively transform a broad excitation of the electronic order into a well-defined, long-lived coherent lattice vibration. This mechanism may be exploited to transiently enhance order parameters in other systems with coupled degrees of freedom.

  13. Trapped charge densities in Al2O3-based silicon surface passivation layers

    Science.gov (United States)

    Jordan, Paul M.; Simon, Daniel K.; Mikolajick, Thomas; Dirnstorfer, Ingo

    2016-06-01

    In Al2O3-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al2O3 layers are grown by atomic layer deposition with very thin (˜1 nm) SiO2 or HfO2 interlayers or interface layers. In SiO2/Al2O3 and HfO2/Al2O3 stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured in pure Al2O3. In Al2O3/SiO2/Al2O3 or Al2O3/HfO2/Al2O3 stacks, very high total charge densities of up to 9 × 1012 cm-2 are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al2O3 layer thickness between silicon and the HfO2 or the SiO2 interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al2O3 layers opens the possibility to engineer the field-effect passivation in the solar cells.

  14. Charge transport in disordered organic host-guest systems: effects of carrier density and electric field

    Energy Technology Data Exchange (ETDEWEB)

    Yimer, Y Y; Bobbert, P A [Group Polymer Physics, Eindhoven Polymer Laboratories and Dutch Polymer Institute, 5600 MB Eindhoven (Netherlands); Coehoorn, R [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands)], E-mail: Y.Y.Yimer@tue.nl

    2008-08-20

    We investigate charge transport in disordered organic host-guest systems with a bimodal Gaussian density of states (DOS). The energy difference between the two Gaussians defines the trap depth. By solving the Pauli master equation for the hopping of charge carriers on a regular lattice with site energies randomly drawn from the DOS, we obtain the dependence of the charge-carrier mobility on the relative guest concentration, the trap depth, the energetic disorder, the charge-carrier density and the electric field. At small and high guest concentrations, our work provides support for recent semi-analytical model results on the dependence of the mobility on the charge-carrier density at zero field. However, at the cross-over between the trap-limited and trap-to-trap hopping regimes, where the mobility attains a minimum, our results can almost be one order of magnitude larger than predicted semi-analytically. Furthermore, it is shown that field-induced detrapping can contribute strongly to the electric-field dependence of the mobility. A simple analytical expression is provided which describes the effect. This result can be used in continuum drift-diffusion models for charge transport in devices such as organic light-emitting diodes.

  15. Charge transport in disordered organic host guest systems: effects of carrier density and electric field

    Science.gov (United States)

    Yimer, Y. Y.; Bobbert, P. A.; Coehoorn, R.

    2008-08-01

    We investigate charge transport in disordered organic host-guest systems with a bimodal Gaussian density of states (DOS). The energy difference between the two Gaussians defines the trap depth. By solving the Pauli master equation for the hopping of charge carriers on a regular lattice with site energies randomly drawn from the DOS, we obtain the dependence of the charge-carrier mobility on the relative guest concentration, the trap depth, the energetic disorder, the charge-carrier density and the electric field. At small and high guest concentrations, our work provides support for recent semi-analytical model results on the dependence of the mobility on the charge-carrier density at zero field. However, at the cross-over between the trap-limited and trap-to-trap hopping regimes, where the mobility attains a minimum, our results can almost be one order of magnitude larger than predicted semi-analytically. Furthermore, it is shown that field-induced detrapping can contribute strongly to the electric-field dependence of the mobility. A simple analytical expression is provided which describes the effect. This result can be used in continuum drift-diffusion models for charge transport in devices such as organic light-emitting diodes.

  16. Hydration of highly charged ions.

    Science.gov (United States)

    Hofer, Thomas S; Weiss, Alexander K H; Randolf, Bernhard R; Rode, Bernd M

    2011-08-01

    Based on a series of ab initio quantum mechanical charge field molecular dynamics (QMCF MD) simulations, the broad spectrum of structural and dynamical properties of hydrates of trivalent and tetravalent ions is presented, ranging from extreme inertness to immediate hydrolysis. Main group and transition metal ions representative for different parts of the periodic system are treated, as are 2 threefold negatively charged anions. The results show that simple predictions of the properties of the hydrates appear impossible and that an accurate quantum mechanical simulation in cooperation with sophisticated experimental investigations seems the only way to obtain conclusive results.

  17. Classification of charge density waves based on their nature.

    Science.gov (United States)

    Zhu, Xuetao; Cao, Yanwei; Zhang, Jiandi; Plummer, E W; Guo, Jiandong

    2015-02-24

    The concept of a charge density wave (CDW) permeates much of condensed matter physics and chemistry. CDWs have their origin rooted in the instability of a one-dimensional system described by Peierls. The extension of this concept to reduced dimensional systems has led to the concept of Fermi surface nesting (FSN), which dictates the wave vector [Formula: see text] of the CDW and the corresponding lattice distortion. The idea is that segments of the Fermi contours are connected by [Formula: see text], resulting in the effective screening of phonons inducing Kohn anomalies in their dispersion at [Formula: see text], driving a lattice restructuring at low temperatures. There is growing theoretical and experimental evidence that this picture fails in many real systems and in fact it is the momentum dependence of the electron-phonon coupling (EPC) matrix element that determines the characteristic of the CDW phase. Based on the published results for the prototypical CDW system 2H-NbSe2, we show how well the [Formula: see text]-dependent EPC matrix element, but not the FSN, can describe the origin of the CDW. We further demonstrate a procedure of combing electronic band and phonon measurements to extract the EPC matrix element, allowing the electronic states involved in the EPC to be identified. Thus, we show that a large EPC does not necessarily induce the CDW phase, with Bi2Sr2CaCu2O8+δ as the example, and the charge-ordered phenomena observed in various cuprates are not driven by FSN or EPC. To experimentally resolve the microscopic picture of EPC will lead to a fundamental change in the way we think about, write about, and classify charge density waves.

  18. Unconventional quantum fluid at high magnetic fields in the marginal charge-density-wave system α-(BEDT-TTF)2MHg(SCN)4 (M=K and Rb)

    Science.gov (United States)

    Harrison, N.; Singleton, J.; Bangura, A.; Ardavan, A.; Goddard, P. A.; McDonald, R. D.; Montgomery, L. K.

    2004-04-01

    Single crystals of the organic charge-transfer salts α-(BEDT-TTF)2MHg(SCN)4 have been studied using Hall-potential measurements (M=K) and magnetization experiments (M=K, Rb). The data show that two types of screening currents occur within the high-magnetic-field, low-temperature charge-density wave (CDWx) phases of these salts in response to time-dependent magnetic fields. The first, which gives rise to the induced Hall potential, is a free current (jfree), present at the surface of the sample. The time constant for the decay of these currents is much longer than that expected from the sample resistivity. The second component of the current appears to be magnetic (jmag), in that it is a microscopic, quasiorbital effect; it is evenly distributed within the bulk of the sample upon saturation. To explain these data, we propose a simple model invoking a new type of quantum fluid comprising a CDW coexisting with a two-dimensional Fermi-surface pocket which describes the two types of current. The model and data are able to account for the body of previous experimental data which had generated apparently contradictory interpretations in terms of the quantum Hall effect or superconductivity.

  19. 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%.

  20. Correlation between the extent of catalytic activity and charge density of montmorillonites.

    Science.gov (United States)

    Ertem, Gözen; Steudel, Annett; Emmerich, Katja; Lagaly, Gerhard; Schuhmann, Rainer

    2010-09-01

    The clay mineral montmorillonite is a member of the phyllosilicate group of minerals, which has been detected on martian soil. Montmorillonite catalyzes the condensation of activated monomers to form RNA-like oligomers. Extent of catalysis, that is, the yield of oligomers, and the length of the longest oligomer formed in these reactions widely varies with the source of montmorillonite (i.e., the locality where the mineral is mined). This study was undertaken to establish whether there exists a correlation between the extent of catalytic property and the charge density of montmorillonites. Charge density was determined by saturating the montmorillonites with alkyl ammonium cations that contained increasing lengths of alkyl chains, [CH₃-(CH₂)(n)-NH₃](+), where n = 3-16 and 18, and then measuring d(₀₀₁), interlayer spacing of the resulting montmorillonite-alkyl ammonium-montmorillonite complex by X-ray diffractometry (XRD). Results demonstrate that catalytic activity of montmorillonites with lower charge density is superior to that of higher charge density montmorillonite. They produce longer oligomers that contain 9 to 10 monomer units, while montmorillonite with high charge density catalyzes the formation of oligomers that contain only 4 monomer units. The charge density of montmorillonites can also be calculated from the chemical composition if elemental analysis data of the pure mineral are available. In the next mission to Mars, CheMin (Chemistry and Mineralogy), a combined X-ray diffraction/X-ray fluorescence instrument, will provide information on the mineralogical and elemental analysis of the samples. Possible significance of these results for planning the future missions to Mars for the search of organic compounds and extinct or extant life is discussed.

  1. Spin and charge distribution in iron porphyrin models: a coupled cluster and density-functional study.

    Science.gov (United States)

    Johansson, Mikael P; Sundholm, Dage

    2004-02-15

    We recently performed detailed analyses of the electronic structure of low-spin iron porphyrins using density-functional theory (DFT). Both the spin-density distributions of the oxidized, ferric forms, as well as the changes in total charge density upon reduction to the ferrous forms have been explored. Here, we compare the DFT results with wave-function theory, more specifically, with the approximate singles and doubles coupled-cluster method (CC2). Different spin states are considered by studying representative models of low spin, intermediate spin, and high spin species. The CC2 calculations corroborate the DFT results; the spin density exhibits the same amount of molecular spin polarization, and the charge delocalization is of comparable magnitude. Slight differences in the descriptions are noted and discussed.

  2. Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dan; Liang, Chunjun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn; Zhang, Huimin; You, Fangtian; He, Zhiqun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn [Key Laboratory of Luminescence and Optical Information, Ministry of Education, School of Science, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Chunxiu [Information Recording Materials Lab, Beijing Institute of Graphic Communication, Beijing 102600 (China)

    2015-02-21

    Solution-processable methylammonium lead trihalide perovskites exhibit remarkable high-absorption and low-loss properties for solar energy conversion. Calculation from density functional theory indicates the presence of non-equivalent halogen atoms in the unit cell because of the specific orientation of the organic cation. Considering the 〈100〉 orientation as an example, I{sub 1}, one of the halogen atoms, differs from the other iodine atoms (I{sub 2} and I{sub 3}) in terms of its interaction with the organic cation. The valance-band-maximum (VBM) and conduction-band-minimum (CBM) states are derived mainly from 5p orbital of I{sub 1} atom and 6p orbital of Pb atom, respectively. The spatially separated charge densities of the electrons and holes justify the low recombination rate of the pure iodide perovskite. Chlorine substitution further strengthens the unique position of the I{sub 1} atom, leading to more localized charge density around the I{sub 1} atom and less charge density around the other atoms at the VBM state. The less overlap of charge densities between the VBM and CBM states explains the relatively lower carrier recombination rate of the iodine-chlorine mixed perovskite. Chlorine substitution significantly reduces the effective mass at a direction perpendicular to the Pb-Cl bond and organic axis, enhancing the carrier transport property of the mixed perovskite in this direction.

  3. Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

    Science.gov (United States)

    Li, Dan; Liang, Chunjun; Zhang, Huimin; Zhang, Chunxiu; You, Fangtian; He, Zhiqun

    2015-02-01

    Solution-processable methylammonium lead trihalide perovskites exhibit remarkable high-absorption and low-loss properties for solar energy conversion. Calculation from density functional theory indicates the presence of non-equivalent halogen atoms in the unit cell because of the specific orientation of the organic cation. Considering the orientation as an example, I1, one of the halogen atoms, differs from the other iodine atoms (I2 and I3) in terms of its interaction with the organic cation. The valance-band-maximum (VBM) and conduction-band-minimum (CBM) states are derived mainly from 5p orbital of I1 atom and 6p orbital of Pb atom, respectively. The spatially separated charge densities of the electrons and holes justify the low recombination rate of the pure iodide perovskite. Chlorine substitution further strengthens the unique position of the I1 atom, leading to more localized charge density around the I1 atom and less charge density around the other atoms at the VBM state. The less overlap of charge densities between the VBM and CBM states explains the relatively lower carrier recombination rate of the iodine-chlorine mixed perovskite. Chlorine substitution significantly reduces the effective mass at a direction perpendicular to the Pb-Cl bond and organic axis, enhancing the carrier transport property of the mixed perovskite in this direction.

  4. Deformations of charge-density wave crystals under electric field

    Energy Technology Data Exchange (ETDEWEB)

    Pokrovskii, V.Ya. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation)], E-mail: pok@cplire.ru; Zybtsev, S.G.; Loginov, V.B. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation); Timofeev, V.N. [Baikov Institute of Metallurgy of RAS, Leninsky prosp. 49, 119991 Moscow (Russian Federation); Kolesov, D.V.; Yaminsky, I.V. [Advanced Technologies Center, Department of Physics, Moscow State University, Leninskie Gori, 119991 Moscow (Russian Federation); Gorlova, I.G. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation)

    2009-03-01

    We report the effects of electric field induced deformations of quasi one-dimensional conductors with charge-density wave (CDW). The most pronounced sort of deformation is torsional strain (TS). The TS is found to comprise two contributions. The features of the 1st-the larger one-are threshold hysteretic dependence on electric field and high relaxation time {tau}: For o-TaS{sub 3}{tau}{approx}10{sup -2} s at T=80 K and falls as exp(900 K/T) with increasing T. The 2nd contribution is linear in electric field and does not drop with frequency increase. The amplitude of this contribution falls abruptly with T approaching the Peierls transition temperature T{sub P} from below. Similar features of TS are demonstrated for other CDW compounds: (TaSe{sub 4}){sub 2}I, K{sub 0.3}MoO{sub 3} and NbS{sub 3} type II, for which T{sub P}{approx}360 K. We attribute the 1st and the 2nd contributions to large (hysteretic) and small (near-equilibrium) CDW deformations, respectively, likely-shear at the surface. The TS is observed also above T{sub P}: For TaS{sub 3} and (TaSe{sub 4}){sub 2}I typical torsional amplitude is 10{sup -1} deg./V in the resonance regimes, corresponding to the piezomodulus {approx}10{sup -9} m/V. A separate study of TS was performed at room temperature with AFM technique. Apart from this ('intrinsic') effect, we observe electrostatic contribution to the TS. In contrast to the intrinsic response, the electrostatic one is proportional to the potential either over the sample, or over an additional electrode ('gate') placed nearby, but not to the difference of potentials between the sample ends. It is typically 2 orders of magnitude less. The intrinsic TS reveals a new electromechanical effect at room temperature, presumably associated with the excitations of the pinned mode of the CDW fluctuations. Its observation opens prospects for application of quasi one-dimensional conductors as micro- and nano-actuators. Basing on the electrostatic

  5. High Energy Density Laboratory Astrophysics

    CERN Document Server

    Lebedev, Sergey V

    2007-01-01

    During the past decade, research teams around the world have developed astrophysics-relevant research utilizing high energy-density facilities such as intense lasers and z-pinches. Every two years, at the International conference on High Energy Density Laboratory Astrophysics, scientists interested in this emerging field discuss the progress in topics covering: - Stellar evolution, stellar envelopes, opacities, radiation transport - Planetary Interiors, high-pressure EOS, dense plasma atomic physics - Supernovae, gamma-ray bursts, exploding systems, strong shocks, turbulent mixing - Supernova remnants, shock processing, radiative shocks - Astrophysical jets, high-Mach-number flows, magnetized radiative jets, magnetic reconnection - Compact object accretion disks, x-ray photoionized plasmas - Ultrastrong fields, particle acceleration, collisionless shocks. These proceedings cover many of the invited and contributed papers presented at the 6th International Conference on High Energy Density Laboratory Astrophys...

  6. Breathing charge density waves in intrinsic Josephson junctions

    Science.gov (United States)

    Shukrinov, Yu. M.; Abdelhafiz, H.

    2014-01-01

    We demonstrate the creation of a charge density wave (CDW) along a stack of coupled Josephson junctions (JJs) in layered superconductors. Electric charge in each superconducting layer oscillates around some average value, forming a breathing CDW. We show the transformation of a longitudinal plasma wave to CDW in the state corresponding to the outermost branch. Transition between different types of CDW's related to the inner branches of IV characteristic is demonstrated. The effect of the external electromagnetic radiation on the states corresponding to the inner branches differs crucially from the case of the single JJ. The Shapiro steps in the IV characteristics of the junctions in the stack do not correspond directly to the frequency of radiation ω. The system of JJs behaves like a single whole system: the Shapiro steps or their harmonics in the total IV characteristics appear at voltage , where V l is the voltage in the lth junction, N R is the number of JJs in the rotating state, and m and n are integers.

  7. High Intensity High Charge State ECR Ion Sources

    CERN Document Server

    Leitner, Daniela

    2005-01-01

    The next-generation heavy ion beam accelerators such as the proposed Rare Isotope Accelerator (RIA), the Radioactive Ion Beam Factory at RIKEN, the GSI upgrade project, the LHC-upgrade, and IMP in Lanzhou require a great variety of high charge state ion beams with a magnitude higher beam intensity than currently achievable. High performance Electron Cyclotron Resonance (ECR) ion sources can provide the flexibility since they can routinely produce beams from hydrogen to uranium. Over the last three decades, ECR ion sources have continued improving the available ion beam intensities by increasing the magnetic fields and ECR heating frequencies to enhance the confinement and the plasma density. With advances in superconducting magnet technology, a new generation of high field superconducting sources is now emerging, designed to meet the requirements of these next generation accelerator projects. The talk will briefly review the field of high performance ECR ion sources and the latest developments for high intens...

  8. Saturation and High Density QCD

    OpenAIRE

    Mueller, A. H.

    2005-01-01

    Recent progress in understanding general properties of high energy scattering near the unitarity limit, where high density gluon components of the wavefunction are dominant, is reviewed. The similarity of the QCD problem and that of reaction-diffusion processes in statistical physics is emphasized. The energy dependence of the saturation momentum and the status of geometric scaling are discussed.

  9. Surface nanostructures by single highly charged ions.

    Science.gov (United States)

    Facsko, S; Heller, R; El-Said, A S; Meissl, W; Aumayr, F

    2009-06-03

    It has recently been demonstrated that the impact of individual, slow but highly charged ions on various surfaces can induce surface modifications with nanometer dimensions. Generally, the size of these surface modifications (blisters, hillocks, craters or pits) increases dramatically with the potential energy of the highly charged ion, while the kinetic energy of the projectile ions seems to be of little importance. This paper presents the currently available experimental evidence and theoretical models and discusses the circumstances and conditions under which nanosized features on different surfaces due to the impact of slow highly charged ions can be produced.

  10. 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.

  11. Coulomb crystallization of highly charged ions

    National Research Council Canada - National Science Library

    Schmöger, L; Versolato, O O; Schwarz, M; Kohnen, M; Windberger, A; Piest, B; Feuchtenbeiner, S; Pedregosa-Gutierrez, J; Leopold, T; Micke, P; Hansen, A K; Baumann, T M; Drewsen, M; Ullrich, J; Schmidt, P O; López-Urrutia, J R Crespo

    2015-01-01

    Control over the motional degrees of freedom of atoms, ions, and molecules in a field-free environment enables unrivalled measurement accuracies but has yet to be applied to highly charged ions (HCIs...

  12. A high charge state multicusp ion source

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N.; Keller, R. (Accelerator and Fusion Research Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (US))

    1990-01-01

    Attempts have been made to generate high charge state ion beams by employing a multicusp plasma source. Three experimental investigations have been performed at Lawrence Berkeley Laboratory (LBL) and at Gesellschaft fuer Schwerionenforschung, Darmstadt (GSI) to study the charge state distributions and the emittance of the extracted beam. Results demonstrate that charge state as high as +7 can be obtained with argon or xenon plasmas. The brightness of a 11-mA xenon ion beam is found to be 26 A/({pi} mm mrad){sup 2}.

  13. High-density multicore fibers

    DEFF Research Database (Denmark)

    Takenaga, K.; Matsuo, S.; Saitoh, K.;

    2016-01-01

    High-density single-mode multicore fibers were designed and fabricated. A heterogeneous 30-core fiber realized a low crosstalk of −55 dB. A quasi-single-mode homogeneous 31-core fiber attained the highest core count as a single-mode multicore fiber....

  14. High density matter at RHIC

    Indian Academy of Sciences (India)

    Thomas S Ullrich

    2004-02-01

    QCD predicts a phase transition between hadronic matter and a quark-gluon plasma at high energy density. The relativistic heavy ion collider (RHIC) at Brookhaven National Laboratory is a new facility dedicated to the experimental study of matter under extreme conditions. Already the first round of experimental results at RHIC indicated that the conditions to create a new state of matter are indeed reached in the collisions of heavy nuclei. Studies of particle spectra and their correlations at low transverse momenta provide evidence of strong pressure gradients in the highly interacting dense medium and hint that we observe a system in thermal equilibrium. Recent runs with high statistics allow us to explore the regime of hard-scattering processes where the suppression of hadrons at large transverse momentum, and quenching of di-jets are observed thus providing further evidence for extreme high density matter created in collisions at RHIC.

  15. Plane density of induced vacuum charge in a supercritical Coulomb potential

    CERN Document Server

    Khalilov, V R

    2016-01-01

    An expression for the density of a planar induced vacuum charge is obtained in a strong Coulomb potential in coordinate space. Treatment is based on a self-adjoint extension approach for constructing of the Green's function of a charged fermion in this potential. Induced vacuum charge density is calculated and analyzed at the subcritical and supercritical Coulomb potentials for massless and massive fermions. The behavior of the obtained vacuum charge density is investigated at long and short distances from the Coulomb center. The induced vacuum charge has a screening sign. Screening of a Coulomb impurity in graphene is briefly discussed. We calculate the real vacuum polarization charge density that acquires the quantum electrodynamics vacuum in the supercritical Coulomb potential due to the so-called real vacuum polarization. It is shown that the vacuum charge densities essentially differ in massive and massless cases. We expect that our results can, as a matter of principle, be tested in graphene with a supe...

  16. Poly(ethylene glycol)-block-cationic polylactide nanocomplexes of differing charge density for gene delivery.

    Science.gov (United States)

    Chen, Chih-Kuang; Jones, Charles H; Mistriotis, Panagiotis; Yu, Yun; Ma, Xiaoni; Ravikrishnan, Anitha; Jiang, Ming; Andreadis, Stelios T; Pfeifer, Blaine A; Cheng, Chong

    2013-12-01

    Representing a new type of biodegradable cationic block copolymer, well-defined poly(ethylene glycol)-block-cationic polylactides (PEG-b-CPLAs) with tertiary amine-based cationic groups were synthesized by thiol-ene functionalization of an allyl-functionalized diblock precursor. Subsequently the application of PEG-b-CPLAs as biodegradable vectors for the delivery of plasmid DNAs (pDNAs) was investigated. Via the formation of PEG-b-CPLA:pDNA nanocomplexes by spontaneous electrostatic interaction, pDNAs encoding luciferase or enhanced green fluorescent protein were successfully delivered to four physiologically distinct cell lines (including macrophage, fibroblast, epithelial, and stem cell). Formulated nanocomplexes demonstrated high levels of transfection with low levels of cytotoxicity and hemolysis when compared to a positive control. Biophysical characterization of charge densities of nanocomplexes at various polymer:pDNA weight ratios revealed a positive correlation between surface charge and gene delivery. Nanocomplexes with high surface charge densities were utilized in an in vitro serum gene delivery inhibition assay, and effective gene delivery was observed despite high levels of serum. Overall, these results help to elucidate the influence of charge, size, and PEGylation of nanocomplexes upon the delivery of nucleic acids in physiologically relevant conditions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. High density fluoride glass calorimeter

    Science.gov (United States)

    Xie, Q.; Scheltzbaum, J.; Akgun, U.

    2014-04-01

    The unprecedented radiation levels in current Large Hadron Collider runs, and plans to even increase the luminosity creates a need for new detector technologies to be investigated. Quartz plates to replace the plastic scintillators in current LHC calorimeters have been proposed in recent reports. Quartz based Cherenkov calorimeters can solve the radiation damage problem, however light production and transfer have proven to be challenging. This report summarizes the results from a computational study on the performance of a high-density glass calorimeter. High-density, scintillating, fluoride glass, CHG3, was used as the active material. This glass has been developed specifically for hadron collider experiments, and is known for fast response time, in addition to high light yield. Here, the details of a Geant4 model for a sampling calorimeter prototype with 20 layers, and its hadronic as well as electromagnetic performances are reported.

  18. Extended phonon collapse in the charge-density-wave compound NbSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Frank [Karlsruhe Institute of Technology, Institute of Solid State Physics, Karlsruhe (Germany); Materials Science Division, Argonne National Laboratory, Argonne, Illinois (United States); Rosenkranz, Stephan; Castellan, John-Paul; Osborn, Raymond [Materials Science Division, Argonne National Laboratory, Argonne, Illinois (United States); Hott, Roland; Heid, Rolf; Bohnen, Klaus-Peter [Karlsruhe Institute of Technology, Institute of Solid State Physics, Karlsruhe (Germany); Egami, Takeshi [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee (United States); Said, Ayman [Advanced Photon Source, Argonne National Laboratory, Illinois (United States); Reznik, Dmitry [Karlsruhe Institute of Technology, Institute of Solid State Physics, Karlsruhe (Germany); Department of Physics, University of Colorado at Boulder, Boulder, Colorado (United States)

    2011-07-01

    We investigated the phonon softening in the charge density wave compound NbSe{sub 2} using the high-resolution hard inelastic X-ray scattering beamline 30-ID-C at the Advanced Photon Source, Argonne National Laboratory. The acoustic {sigma}{sub 1} phonon branch was measured from the zone center {gamma} to the M point at temperatures between 250 K and 8 K across the CDW transition at T{sub CDW}=33 K. Density functional theory calculations for the lattice dynamical properties which predict an extended phonon breakdown are used to analyze the detailed nature of the softening phonon branch.

  19. The angular magnetothermoelectric power of a charge density wave system

    Science.gov (United States)

    Krstovska, D.; Choi, E. S.; Steven, E.; Brooks, J. S.

    2012-07-01

    The angular dependence of the magnetothermopower of a charge transfer organic salt α-(ET)2KHg(SCN)4 below (4 K) and above (9 K) the phase transition temperature, Tp = 8 K, and under fields of 15 T and 25 T, below and above the ‘kinkfield’, has been studied. We find that for a longitudinal thermoelectric measurement both an interlayer thermopower (the Seebeck effect), Szz, and a transverse thermopower (the Nernst effect), Syz, exist in all three different B-T phases (the CDW 0, CDW x and metallic states) with large amplitude. Both thermoelectric effects display a resonant-like behavior without a sign reversal at the angles corresponding to angular magnetoresistance oscillation minima and maxima in this compound. The resonant behavior is most evident in the CDW0 state, indicating a mechanism involving the Fermi surface nesting. Angular dependences reveal different behaviors of the thermopower and Nernst effect in the high magnetic field (CDWx) state.

  20. Universal Field-Induced Charge-Density-Wave Phase Diagram: Theory versus Experiment

    Science.gov (United States)

    Lebed, A. G.

    2009-07-01

    We suggest a theory of field-induced charge-density-wave phases, generated by high magnetic fields in quasi-low-dimensional conductors. We demonstrate that, in layered quasi-one-dimensional conductors, the corresponding critical magnetic field ratios are universal and do not depend on any fitting parameter. In particular, we find that H1/H0=0.73, H2/H0=0.59, H3/H0=0.49, and H4/H0=0.42, where Hn is a critical field of a phase transition between the field-induced charge-density-wave phases with numbers n and n+1. The suggested theory is in very good qualitative and quantitative agreement with the existing experimental data in α-(ET)2KHg(SCN)4 material.

  1. Charge density waves in the graphene sheets of the superconductor CaC(6).

    Science.gov (United States)

    Rahnejat, K C; Howard, C A; Shuttleworth, N E; Schofield, S R; Iwaya, K; Hirjibehedin, C F; Renner, Ch; Aeppli, G; Ellerby, M

    2011-11-29

    Graphitic systems have an electronic structure that can be readily manipulated through electrostatic or chemical doping, resulting in a rich variety of electronic ground states. Here we report the first observation and characterization of electronic stripes in the highly electron-doped graphitic superconductor, CaC(6), by scanning tunnelling microscopy and spectroscopy. The stripes correspond to a charge density wave with a period three times that of the Ca superlattice. Although the positions of the Ca intercalants are modulated, no displacements of the carbon lattice are detected, indicating that the graphene sheets host the ideal charge density wave. This provides an exceptionally simple material-graphene-as a starting point for understanding the relation between stripes and superconductivity. Furthermore, our experiments suggest a strategy to search for superconductivity in graphene, namely in the vicinity of striped 'Wigner crystal' phases, where some of the electrons crystallize to form a superlattice.

  2. Handbook for highly charged ion spectroscopic research

    CERN Document Server

    Hutton, Roger; Currell, Fred; Martinson, Indrek; Hagmann, Siegbert

    2011-01-01

    Highly charged ions are key research objects in atomic physics. Precision spectroscopy of such ions provides a powerful tool for exploring relativistic and quantum electrodynamics effects. Additionally, the interaction of high-energy heavy-ions with matter is itself a topic of importance in many areas of applied physics, including fusion and plasma physics, accelerator physics, materials science and semiconductor device preparation and behavior. This work provides a complete overview of modern methods of studying highly charged ions. With chapters covering everything from the essential backgro

  3. Experimental surface charge density of the Si (100)-2x1H surface

    DEFF Research Database (Denmark)

    Ciston, J.; Marks, L.D.; Feidenhans'l, R.;

    2006-01-01

    We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...... are able to partially refine the local charge density at the surface. We find experimentally an increased, slightly localized bond density of approximately 0.31 electrons between each Si atom pair at the surface. Both the atomic positions and the charge density are in remarkably good agreement with density...

  4. Experimental surface charge density of the Si (100)-2x1H surface

    DEFF Research Database (Denmark)

    Ciston, J.; Marks, L.D.; Feidenhans'l, R.

    2006-01-01

    We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...... are able to partially refine the local charge density at the surface. We find experimentally an increased, slightly localized bond density of approximately 0.31 electrons between each Si atom pair at the surface. Both the atomic positions and the charge density are in remarkably good agreement with density...

  5. Charge density and particle size effects on oligonucleotide and plasmid DNA binding to nanosized hydrotalcite.

    Science.gov (United States)

    Sanderson, Brian A; Sowersby, Drew S; Crosby, Sergio; Goss, Marcus; Lewis, L Kevin; Beall, Gary W

    2013-12-01

    Hydrotalcite (HT) and other layered double metal hydroxides are of great interest as gene delivery and timed release drug delivery systems and as enteric vehicles for biologically active molecules that are sensitive to gastric fluids. HT is a naturally occurring double metal hydroxide that can be synthesized as a nanomaterial consisting of a brucite structure with isomorphous substitution of aluminum ions. These positively charged nanoparticles exhibit plate-like morphology with very high aspect ratios. Biomolecules such as nucleic acids and proteins form strong associations with HT because they can associate with the positively charged layers. The binding of nucleic acids with HT and other nanomaterials is currently being investigated for potential use in gene therapy; however, the binding of specific nucleic acid forms, such as single- and double-stranded DNA, has been little explored. In addition, the effects of charge density and particle size on DNA adsorption has not been studied. In this paper, the binding of different forms of DNA to a series of HTs prepared at different temperatures and with different anion exchange capacities has been investigated. Experiments demonstrated that HTs synthesized at higher temperatures associate with both single- and double-stranded oligomers and circular plasmid DNA more tightly than HTs synthesized at room temperature, likely due to the hydrothermal conditions promoting larger particle sizes. HT with an anion exchange capacity of 300 meq/100 g demonstrated the highest binding of DNA, likely due to the closer match of charge densities between the HT and DNA. The details of the interaction of various forms of DNA with HT as a function of charge density, particle size, and concentration are discussed.

  6. Solution of Equations of Internal Ballistics for the Composite Charge Using Lagrange Density Approximation

    Directory of Open Access Journals (Sweden)

    D. K. Narvilkar

    1979-07-01

    Full Text Available In the present paper, the equations of internal ballistics of composite charge consisting of N component charge with quadratic form are solved. Largange density approximation and hydrodynamic flow behaviour, have been assumed and the solutions are obtained for the composite charge for these assumptions.

  7. High charge carrier mobility and efficient charge separation in highly soluble perylenetetracarboxyl-diimides

    NARCIS (Netherlands)

    Günbaş, D.D.; Xue, C.; Patwardhan,S.; Fravventura, M.C.; Zhang, H.; Jager, W.F.; Sudhölter, E.J.R.; Laurens D. A.; Siebbeles, L.D.A.; Savenije, T.J.; Jin, S.; Grozema, F.C.

    2014-01-01

    In this communication we report on the synthesis and charge mobility of highly soluble perylenebisimid derivatives.We show that introduction of alkylester side chains results in compounds combining a high solubility with charge mobilities up to 0.22 cm2 V_1 s_1. These materials are therefore interes

  8. Testing the concept of hypervalency: charge density analysis of K2SO4.

    Science.gov (United States)

    Schmøkel, Mette S; Cenedese, Simone; Overgaard, Jacob; Jørgensen, Mads R V; Chen, Yu-Sheng; Gatti, Carlo; Stalke, Dietmar; Iversen, Bo B

    2012-08-06

    One of the most basic concepts in chemical bonding theory is the octet rule, which was introduced by Lewis in 1916, but later challenged by Pauling to explain the bonding of third-row elements. In the third row, the central atom was assumed to exceed the octet by employing d orbitals in double bonding leading to hypervalency. Ever since, polyoxoanions such as SO(4)(2-), PO(4)(3-), and ClO(4)(-) have been paradigmatic examples for the concept of hypervalency in which the double bonds resonate among the oxygen atoms. Here, we examine S-O bonding by investigating the charge density of the sulfate group, SO(4)(2-), within a crystalline environment based both on experimental and theoretical methods. K(2)SO(4) is a high symmetry inorganic solid, where the crystals are strongly affected by extinction effects. Therefore, high quality, very low temperature single crystal X-ray diffraction data were collected using a small crystal (∼30 μm) and a high-energy (30 keV) synchrotron beam. The experimental charge density was determined by multipole modeling, whereas a theoretical density was obtained from periodic ab initio DFT calculations. The chemical bonding was jointly analyzed within the framework of the Quantum Theory of Atoms In Molecules only using quantities derived from an experimental observable (the charge density). The combined evidence suggests a bonding situation where the S-O interactions can be characterized as highly polarized, covalent bonds, with the "single bond" description significantly prevailing over the "double bond" picture. Thus, the study rules out the hypervalent description of the sulfur atom in the sulfate group.

  9. Charge-carrier mobilities in disordered semiconducting polymers: effects of carrier density and electric field

    Energy Technology Data Exchange (ETDEWEB)

    Meisel, K.D.; Pasveer, W.F.; Cottaar, J.; Bobbert, P.A.; Michels, M.A.J. [Group Polymer Physics, Eindhoven Polymer Laboratories and Dutch Polymer Institute, Technische Universiteit Eindhoven, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Tanase, C.; Blom, P.W.M. [Materials Science Centre and Dutch Polymer Institute, Nijenborgh 4, 9747 AG Groningen (Netherlands); Coehoorn, R.; Leeuw, D.M. de [Philips Research Laboratories, Prof. Holstlaan 4, 5656 AA Eindhoven (Netherlands)

    2006-02-01

    We model charge transport in disordered semiconducting polymers by hopping of charge carriers on a square lattice of sites with Gaussian on-site energy disorder, using Fermi-Dirac statistics. From numerically exact solutions of the Master equation, we study the dependence of the charge-carrier mobility on temperature, carrier density, and electric field. Our results are used in calculating current-voltage characteristics of hole-only polymer diodes. It is found that very good fits to experimental current-voltage characteristics can be obtained at different temperatures, with reasonable fitting parameters for the width of the Gaussian density of states and the lattice constant. In agreement with the experiments we find that the density dependence is dominant over the field dependence. Only at high fields and low temperatures the field dependence becomes noticeable. The potential and current distribution show strong inhomogeneities, which may have important consequences for the operation of polymer opto-electronic devices. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. 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.

  11. 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...

  12. 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…

  13. Long-range charge-density-wave proximity effect at cuprate/manganate interfaces

    Science.gov (United States)

    Frano, A.; Blanco-Canosa, S.; Schierle, E.; Lu, Y.; Wu, M.; Bluschke, M.; Minola, M.; Christiani, G.; Habermeier, H. U.; Logvenov, G.; Wang, Y.; van Aken, P. A.; Benckiser, E.; Weschke, E.; Le Tacon, M.; Keimer, B.

    2016-08-01

    The interplay between charge density waves (CDWs) and high-temperature superconductivity is currently under intense investigation. Experimental research on this issue is difficult because CDW formation in bulk copper oxides is strongly influenced by random disorder, and a long-range-ordered CDW state in high magnetic fields is difficult to access with spectroscopic and diffraction probes. Here we use resonant X-ray scattering in zero magnetic field to show that interfaces with the metallic ferromagnet La2/3Ca1/3MnO3 greatly enhance CDW formation in the optimally doped high-temperature superconductor YBa2Cu3O6+δ (δ ~ 1), and that this effect persists over several tens of nanometres. The wavevector of the incommensurate CDW serves as an internal calibration standard of the charge carrier concentration, which allows us to rule out any significant influence of oxygen non-stoichiometry, and to attribute the observed phenomenon to a genuine electronic proximity effect. Long-range proximity effects induced by heterointerfaces thus offer a powerful method to stabilize the charge-density-wave state in the cuprates and, more generally, to manipulate the interplay between different collective phenomena in metal oxides.

  14. Long-range charge-density-wave proximity effect at cuprate/manganate interfaces.

    Science.gov (United States)

    Frano, A; Blanco-Canosa, S; Schierle, E; Lu, Y; Wu, M; Bluschke, M; Minola, M; Christiani, G; Habermeier, H U; Logvenov, G; Wang, Y; van Aken, P A; Benckiser, E; Weschke, E; Le Tacon, M; Keimer, B

    2016-08-01

    The interplay between charge density waves (CDWs) and high-temperature superconductivity is currently under intense investigation. Experimental research on this issue is difficult because CDW formation in bulk copper oxides is strongly influenced by random disorder, and a long-range-ordered CDW state in high magnetic fields is difficult to access with spectroscopic and diffraction probes. Here we use resonant X-ray scattering in zero magnetic field to show that interfaces with the metallic ferromagnet La2/3Ca1/3MnO3 greatly enhance CDW formation in the optimally doped high-temperature superconductor YBa2Cu3O6+δ (δ ∼ 1), and that this effect persists over several tens of nanometres. The wavevector of the incommensurate CDW serves as an internal calibration standard of the charge carrier concentration, which allows us to rule out any significant influence of oxygen non-stoichiometry, and to attribute the observed phenomenon to a genuine electronic proximity effect. Long-range proximity effects induced by heterointerfaces thus offer a powerful method to stabilize the charge-density-wave state in the cuprates and, more generally, to manipulate the interplay between different collective phenomena in metal oxides.

  15. Empirical transverse charge densities in the nucleon and the nucleon-to-Delta transition

    Energy Technology Data Exchange (ETDEWEB)

    Carl Carlson; Marc Vanderhaeghen

    2008-01-01

    Using only the current empirical information on the nucleon electromagnetic form factors we map out the transverse charge density in proton and neutron as viewed from a light front moving towards a transversely polarized nucleon. These charge densities are characterized by a dipole pattern, in addition to the monopole field corresponding with the unpolarized density. Furthermore, we use the latest empirical information on the $N \\to \\Delta$ transition form factors to map out the transition charge density which induces the $N \\to \\Delta$ excitation. This transition charge density in a transversely polarized $N$ and $\\Delta$ contains both monopole, dipole and quadrupole patterns, the latter corresponding with a deformation of the hadron's charge distribution.

  16. Topics in the Dynamics of Charge-Density

    Science.gov (United States)

    Ramakrishna, Sathyanarayan (Satish).

    This dissertation is an investigation into some interesting transport properties of charge-density-waves (CDWs). The field of CDW dynamics is an arena for the battle between mathematical analysis and random disorder. It is a very difficult physical situation to analyze. The theoretical study of CDW dynamics dates to the prescient suggestion of John Bardeen (in the 70s) that the nonlinear I-V characteristic of the quasi one-dimensional material TTF-TCNQ was a consequence of collective transport of condensate resulting from a Peierls instability. This instability, described first by Peierls, is studied in Chapter 1. Once the underlying physics of the instability was understood, the effects of coupling the CDW to impurities and to electric and magnetic fields were studied. The most striking effect of impurities is to produce CDW pinning, so that collective-mode transport ceases to occur if the applied electric field is smaller than a threshold field. Intensive research led to the Fukuyama-Lee-Rice model of CDW pinning. Experiments in the field are complicated by the difficulty in preparing well characterized samples of the relevant materials, among which are the trichalco-genides NbSe_3, TaS_3, the dichalcogenides (TaSe_4)_2I, TaS_2, NbSe_2 and blue bronze K_{0.3}MoO _3. Over the last decade, growth techniques have been perfected and intensive comparison between the various theoretical models and experiment is feasible. An outline of the dissertation is as follows. First, we review the theoretical ideas that underlie the subject. Then we discuss each new piece of work separately. First, this thesis presents one important theoretical approach to the study of CDW dynamics. The approach builds upon previous work on the microscopic theory of superconductors and results in a new formulation of the problem that seems likely to lend itself to non-perturbative approaches. The perturbative approach cannot provide answers to the question of what happens near the depinning

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

    DEFF Research Database (Denmark)

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

    CoSb3 is a highly important host-guest material for the engineering of high-performance thermoelectric materials.[1] Its crystal structure has empty cavities and when guest atoms are added to CoSb3, its thermoelectric properties are greatly enhanced due to decreased thermal conductivity.[2......] 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...

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

    Science.gov (United States)

    Harrison, Neil; Singleton, John; Migliori, Albert

    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.

  20. Workshop on extremely high energy density plasmas and their diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Shozo (ed.)

    2001-09-01

    Compiled are the papers presented at the workshop on 'Extremely High Energy Density Plasmas and Their Diagnostics' held at National Institute for Fusion Science. The papers cover physics and applications of extremely high-energy density plasmas such as dense z-pinch, plasma focus, and intense pulsed charged beams. Separate abstracts were presented for 7 of the papers in this report. The remaining 25 were considered outside the subject scope of INIS. (author)

  1. From super-charged nuclei to massive nuclear density cores

    CERN Document Server

    Popov, Vladimir

    2010-01-01

    Due to $e^+e^-$-pair production in the field of supercritical $(Z \\gg Z_{cr}\\approx 170 $) nucleus an electron shell, created out of the vacuum, is formed. The distribution of the vacuum charge in this shell has been determined for super-charged nuclei $Ze^3 \\ga 1$ within the framework of the Thomas-Fermi equation generalized to the relativistic case. For $Ze^3 \\gg 1$ the electron shell penetrates inside the nucleus and almost completely screens its charge. Inside such nucleus the potential takes a constant value equal to $V_0=-(3\\pi^2 n_p)^{1/3} \\sim -2m_{\\pi}c^2$, and super-charged nucleus represents an electrically neutral plasma consisting of $e,p$ and $n$. Near the edge of the nucleus a transition layer exists with a width $\\lambda \\approx \\alpha^{-1/2} \\hbar/m_{\\pi} c\\sim 15$ fm, which is independent of $Z~~ (\\hbar/m_{\\pi} c \\ll \\lambda \\ll \\hbar/m_e c)$. The electric field and surface charge are concentrated in this layer. These results, obtained earlier for hypothetical superheavy nuclei with $Z \\sim ...

  2. A Novel Method for Measuring Electrical Conductivity of High Insulating Oil Using Charge Decay

    Science.gov (United States)

    Wang, Z. Q.; Qi, P.; Wang, D. S.; Wang, Y. D.; Zhou, W.

    2016-05-01

    For the high insulating oil, it is difficult to measure the conductivity precisely using voltammetry method. A high-precision measurementis proposed for measuring bulk electrical conductivity of high insulating oils (about 10-9--10-15S/m) using charge decay. The oil is insulated and charged firstly, and then grounded fully. During the experimental procedure, charge decay is observed to show an exponential law according to "Ohm" theory. The data of time dependence of charge density is automatically recorded using an ADAS and a computer. Relaxation time constant is fitted from the data using Gnuplot software. The electrical conductivity is calculated using relaxation time constant and dielectric permittivity. Charge density is substituted by electric potential, considering charge density is difficult to measure. The conductivity of five kinds of oils is measured. Using this method, the conductivity of diesel oil is easily measured to beas low as 0.961 pS/m, as shown in Fig. 5.

  3. Influence of nitrogen dose on the charge density of nitrogen-implanted buried oxide in SOI wafers

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Zhongshan [Department of Physics, University of Jinan, Jinan 250022 (China); Liu Zhongli; Li Ning; Li Guohua [Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Zhang Enxia, E-mail: ss_zhengzs@ujn.edu.c [College of Material Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

    2010-02-15

    To harden silicon-on-insulator (SOI) wafers fabricated using separation by implanted oxygen (SIMOX) to total-dose irradiation, the technique of nitrogen implantation into the buried oxide (BOX) layer of SIMOX wafers can be used. However, in this work, it has been found that all the nitrogen-implanted BOX layers reveal greater initial positive charge densities, which increased with increasing nitrogen implantation dose. Also, the results indicate that excessively large nitrogen implantation dose reduced the radiation tolerance of BOX for its high initial positive charge density. The bigger initial positive charge densities can be ascribed to the accumulation of implanted nitrogen near the Si-BOX interface after annealing. On the other hand, in our work, it has also been observed that, unlike nitrogen-implanted BOX, all the fluorine-implanted BOX layers show a negative charge density. To obtain the initial charge densities of the BOX layers, the tested samples were fabricated with a metal-BOX-silicon (MBS) structure based on SIMOX wafers for high-frequency capacitance-voltage (C-V) analysis. (semiconductor technology)

  4. Modulated spin and charge densities in cuprate superconductors

    OpenAIRE

    Tranquada, J. M.

    1997-01-01

    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.

  5. Calculation of the Nuclear Transition Charge Density in a Microscopic sdgIBM-1

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhan-Jun; SANG Jian-ping; LIU Yong

    2000-01-01

    Formulae of proton and neutron boson structure functions (BSF's) are deduced in terms of a microscopic approach of sdgIBM (namely, microscopic sdgIBM). For the nucleus 190Os, the value of BSF's is worked out. Due to the high similarity, the maximum F-spin truncation is made under the full-symmetry approximation. Thereafter, calculations of E2 and E4 transition charge densities (TCD's) are performed in the sdgIBM-1. It is found that the E2 and E4 TCD's can be reproduced quite satisfactorily in the uniform frame of microscopic sdgIBM-1.

  6. Adsorption of weak polyelectrolytes on charged nanoparticles. Impact of salt valency, pH, and nanoparticle charge density. Monte Carlo simulations.

    Science.gov (United States)

    Carnal, Fabrice; Stoll, Serge

    2011-10-27

    Complex formation between a weak flexible polyelectrolyte chain and one positively charged nanoparticle in presence of explicit counterions and salt particles is investigated using Monte Carlo simulations. The influence of parameters such as the nanoparticle surface charge density, salt valency, and solution property such as the pH on the chain protonation/deprotonation process and monomer adsorption at the nanoparticle surface are systematically investigated. It is shown that the nanoparticle presence significantly modifies chain acid/base and polyelectrolyte conformational properties. The importance of the attractive electrostatic interactions between the chain and the nanoparticle clearly promotes the chain deprotonation leading, at high pH and nanoparticle charge density, to fully wrapped polyelectrolyte at the nanoparticle surface. When the nanoparticle bare charge is overcompensated by the polyelectrolyte charges, counterions and salt particles condense at the surface of the polyelectrolyte-nanoparticle complex to compensate for the excess of charges providing from the adsorbed polyelectrolyte chain. It is also shown that the complex formation is significantly affected by the salt valency. Indeed, with the presence of trivalent salt cations, competition is observed between the nanoparticle and the trivalent cations. As a result, the amount of adsorbed monomers is less important than in the monovalent and divalent case and chain conformations are different due to the collapse of polyelectrolyte segments around trivalent cations out of the nanoparticle adsorption layer.

  7. Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study.

    Science.gov (United States)

    Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R; Kumaradhas, Poomani

    2014-06-01

    An experimental charge-density analysis of pyrazinamide (a first line antitubercular drug) was performed using high-resolution X-ray diffraction data [(sin θ/λ)max = 1.1 Å(-1)] measured at 100 (2) K. The structure was solved by direct methods using SHELXS97 and refined by SHELXL97. The total electron density of the pyrazinamide molecule was modeled using the Hansen-Coppens multipole formalism implemented in the XD software. The topological properties of electron density determined from the experiment were compared with the theoretical results obtained from CRYSTAL09 at the B3LYP/6-31G** level of theory. The crystal structure was stabilized by N-H...N and N-H...O hydrogen bonds, in which the N3-H3B...N1 and N3-H3A...O1 interactions form two types of dimers in the crystal. Hirshfeld surface analysis was carried out to analyze the intermolecular interactions. The fingerprint plot reveals that the N...H and O...H hydrogen-bonding interactions contribute 26.1 and 18.4%, respectively, of the total Hirshfeld surface. The lattice energy of the molecule was calculated using density functional theory (B3LYP) methods with the 6-31G** basis set. The molecular electrostatic potential of the pyrazinamide molecule exhibits extended electronegative regions around O1, N1 and N2. The existence of a negative electrostatic potential (ESP) region just above the upper and lower surfaces of the pyrazine ring confirm the π-electron cloud.

  8. Influence of Electric Charge and Modified Gravity on Density Irregularities

    CERN Document Server

    Bhatti, M Zaeem Ul Haq

    2016-01-01

    This work aims to identify some inhomogeneity factors for plane symmetric topology with anisotropic and dissipative fluid under the effects of both electromagnetic field as well as Palatini $f(R)$ gravity. We construct the modified field equations, kinematical quantities and mass function to continue our analysis. We have explored the dynamical quantities, conservation equations and modified Ellis equations with the help of a viable $f(R)$ model. Some particular cases are discussed with and without dissipation to investigate the corresponding inhomogeneity factors. For non-radiating scenario, we examine such factors with dust, isotropic and anisotropic matter in the presence of charge. For dissipative fluid, we investigate the inhomogeneity factor with charged dust cloud. We conclude that electromagnetic field increases the inhomogeneity in matter while the extra curvature terms make the system more homogeneous with the evolution of time.

  9. Influence of electric charge and modified gravity on density irregularities

    Energy Technology Data Exchange (ETDEWEB)

    Bhatti, M.Z. Ul Haq; Yousaf, Z. [University of the Punjab, Department of Mathematics, Lahore (Pakistan)

    2016-04-15

    This work aims to identify some inhomogeneity factors for a plane symmetric topology with anisotropic and dissipative fluid under the effects of both electromagnetic field as well as Palatini f(R) gravity. We construct the modified field equations, kinematical quantities, and mass function to continue our analysis. We have explored the dynamical quantities, conservation equations and modified Ellis equations with the help of a viable f(R) model. Some particular cases are discussed with and without dissipation to investigate the corresponding inhomogeneity factors. For a non-radiating scenario, we examine such factors as dust, and isotropic and anisotropic matter in the presence of charge. For a dissipative fluid, we investigate the inhomogeneity factor with a charged dust cloud. We conclude that the electromagnetic field increases the inhomogeneity in matter while the extra curvature terms make the system more homogeneous with the evolution of time. (orig.)

  10. Molecular Weight and Charge Density Asymmetry in Polyelectrolyte Complexation

    Science.gov (United States)

    Audus, Debra; Fredrickson, Glenn; Duechs, Dominik

    2009-03-01

    We investigate the phase diagram of oppositely charged polymers in a good solvent using a field-theoretic model. Mean-field solutions fail to predict the experimentally observed macroscopic phase separation into a solvent-rich phase and a dense liquid aggregate of polymers - a ``complex coacervate.'' We therefore study the model within a one-loop approximation, which accounts for Gaussian fluctuations in electrostatic and chemical potentials. Our particular focus is the effect of molecular weight, ionic strength, and charge asymmetry on the phase envelope. A set of dimensionless parameters is identified that dictate the size and shape of the two-phase region. Our results should be helpful in guiding experimental studies of coacervation.

  11. Melting Point Of Metals In Relation Io Electron Charge Density

    Directory of Open Access Journals (Sweden)

    Boczkal G.

    2015-09-01

    Full Text Available The concept of spatial criterion of the electron charge concentration is applied to determine the metal melting point. Based on the model proposed for bcc metals, a model for hcp metals and general form for others has been developed. To calculate the melting point, only structural data and atomic number are required. The obtained results show good consistency with the experimental data for metals with atomic number Z < 70.

  12. Low Density Phases in a Uniformly Charged Liquid

    Science.gov (United States)

    Knüpfer, Hans; Muratov, Cyrill B.; Novaga, Matteo

    2016-07-01

    This paper is concerned with the macroscopic behavior of global energy minimizers in the three-dimensional sharp interface unscreened Ohta-Kawasaki model of diblock copolymer melts. This model is also referred to as the nuclear liquid drop model in the studies of the structure of highly compressed nuclear matter found in the crust of neutron stars, and, more broadly, is a paradigm for energy-driven pattern forming systems in which spatial order arises as a result of the competition of short-range attractive and long-range repulsive forces. Here we investigate the large volume behavior of minimizers in the low volume fraction regime, in which one expects the formation of a periodic lattice of small droplets of the minority phase in a sea of the majority phase. Under periodic boundary conditions, we prove that the considered energy {Γ}-converges to an energy functional of the limit "homogenized" measure associated with the minority phase consisting of a local linear term and a non-local quadratic term mediated by the Coulomb kernel. As a consequence, asymptotically the mass of the minority phase in a minimizer spreads uniformly across the domain. Similarly, the energy spreads uniformly across the domain as well, with the limit energy density minimizing the energy of a single droplet per unit volume. Finally, we prove that in the macroscopic limit the connected components of the minimizers have volumes and diameters that are bounded above and below by universal constants, and that most of them converge to the minimizers of the energy divided by volume for the whole space problem.

  13. Density limits investigation and high density operation in EAST tokamak

    Science.gov (United States)

    Zheng, Xingwei; Li, Jiangang; Hu, Jiansheng; Liu, Haiqing; Jie, Yinxian; Wang, Shouxin; Li, Jiahong; Duan, Yanming; Li, Miaohui; Li, Yongchun; Zhang, Ling; Ye, Yang; Yang, Qingquan; Zhang, Tao; Cheng, Yingjie; Xu, Jichan; Wang, Liang; Xu, Liqing; Zhao, Hailin; Wang, Fudi; Lin, Shiyao; Wu, Bin; Lyu, Bo; Xu, Guosheng; Gao, Xiang; Shi, Tonghui; He, Kaiyang; Lan, Heng; Chu, Nan; Cao, Bin; Sun, Zhen; Zuo, Guizhong; Ren, Jun; Zhuang, Huidong; Li, Changzheng; Yuan, Xiaolin; Yu, Yaowei; Wang, Houyin; Chen, Yue; Wu, Jinhua; EAST Team

    2016-05-01

    Increasing the density in a tokamak is limited by the so-called density limit, which is generally performed as an appearance of disruption causing loss of plasma confinement, or a degradation of high confinement mode which could further lead to a H  →  L transition. The L-mode and H-mode density limit has been investigated in EAST tokamak. Experimental results suggest that density limits could be triggered by either edge cooling or excessive central radiation. The L-mode density limit disruption is generally triggered by edge cooling, which leads to the current profile shrinkage and then destabilizes a 2/1 tearing mode, ultimately resulting in a disruption. The L-mode density limit scaling agrees well with the Greenwald limit in EAST. The observed H-mode density limit in EAST is an operational-space limit with a value of 0.8∼ 0.9{{n}\\text{GW}} . High density H-mode heated by neutral beam injection (NBI) and lower hybrid current drive (LHCD) are analyzed, respectively. The constancy of the edge density gradients in H-mode indicates a critical limit caused perhaps by e.g. ballooning induced transport. The maximum density is accessed at the H  →  L transition which is generally caused by the excessive core radiation due to high Z impurities (Fe, Cu). Operating at a high density (>2.8× {{10}19} {{\\text{m}}-3} ) is favorable for suppressing the beam shine through NBI. High density H-mode up to 5.3× {{10}19}{{\\text{m}}-3}~≤ft(∼ 0.8{{n}\\text{GW}}\\right) could be sustained by 2 MW 4.6 GHz LHCD alone, and its current drive efficiency is studied. Statistics show that good control of impurities and recycling facilitate high density operation. With careful control of these factors, high density up to 0.93{{n}\\text{GW}} stable H-mode operation was carried out heated by 1.7 MW LHCD and 1.9 MW ion cyclotron resonance heating with supersonic molecular beam injection fueling.

  14. Charge-density analysis of 1-nitroindoline: refinement quality using free R factors and restraints.

    Science.gov (United States)

    Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian

    2011-06-01

    Nitramines and related N-nitro compounds have attracted significant attention owing to their use in rocket fuel and as explosives. The charge density of 1-nitroindoline was determined experimentally and from theoretical calculations. Electron-density refinements were performed using the multipolar atom formalism. In order to design the ideal restraint strategy for the charge-density parameters, R-free analyses were performed involving a series of comprehensive refinements. Different weights were applied to the charge-density restraints, namely the similarity between chemically equivalent atoms and local symmetry. Additionally, isotropic thermal motion and an anisotropic model calculated by rigid-body analysis were tested on H atoms. The restraint weights which resulted in the lowest values of the averaged R-free factors and the anisotropic H-atom model were considered to yield the best charge density and were used in the final refinement. The derived experimental charge density along with intra- and intermolecular interactions was analysed and compared with theoretical calculations, notably with respect to the symmetry of multipole parameters. A comparison of different refinements suggests that the appropriate weighting scheme applied to charge-density restraints can reduce the observed artefacts. The topological bond orders of the molecule were calculated.

  15. Method to obtain absolute impurity density profiles combining charge exchange and beam emission spectroscopy without absolute intensity calibrationa)

    Science.gov (United States)

    Kappatou, A.; Jaspers, R. J. E.; Delabie, E.; Marchuk, O.; Biel, W.; Jakobs, M. A.

    2012-10-01

    Investigation of impurity transport properties in tokamak plasmas is essential and a diagnostic that can provide information on the impurity content is required. Combining charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES), absolute radial profiles of impurity densities can be obtained from the CXRS and BES intensities, electron density and CXRS and BES emission rates, without requiring any absolute calibration of the spectra. The technique is demonstrated here with absolute impurity density radial profiles obtained in TEXTOR plasmas, using a high efficiency charge exchange spectrometer with high etendue, that measures the CXRS and BES spectra along the same lines-of-sight, offering an additional advantage for the determination of absolute impurity densities.

  16. Method to obtain absolute impurity density profiles combining charge exchange and beam emission spectroscopy without absolute intensity calibration

    Energy Technology Data Exchange (ETDEWEB)

    Kappatou, A.; Delabie, E. [FOM Institute DIFFER - Dutch Institute for Fundamental Energy Research, Association EURATOM-FOM, 3430 BE Nieuwegein (Netherlands); Jaspers, R. J. E.; Jakobs, M. A. [Science and Technology of Nuclear Fusion, Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); Marchuk, O.; Biel, W. [Institute for Energy and Climate Research, Forschungszentrum Julich GmbH, Trilateral Euregio Cluster, 52425 Julich (Germany)

    2012-10-15

    Investigation of impurity transport properties in tokamak plasmas is essential and a diagnostic that can provide information on the impurity content is required. Combining charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES), absolute radial profiles of impurity densities can be obtained from the CXRS and BES intensities, electron density and CXRS and BES emission rates, without requiring any absolute calibration of the spectra. The technique is demonstrated here with absolute impurity density radial profiles obtained in TEXTOR plasmas, using a high efficiency charge exchange spectrometer with high etendue, that measures the CXRS and BES spectra along the same lines-of-sight, offering an additional advantage for the determination of absolute impurity densities.

  17. Fractal dimension of the topological charge density distribution in SU(2) lattice gluodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Buividovich, P.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation); Kalaydzhyan, T. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation); Polikarpov, M.I. [Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation)

    2011-11-15

    We study the effect of cooling on the spatial distribution of the topological charge density in quenched SU(2) lattice gauge theory with overlap fermions. We show that as the gauge field configurations are cooled, the Hausdorff dimension of regions where the topological charge is localized gradually changes from d=2/3 towards the total space dimension. Hence the cooling procedure destroys some of the essential properties of the topological charge distribution. (orig.)

  18. 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...

  19. A study of transverse charge density of pions in relativistic quantum mechanics%A study of transverse charge density of pions in relativistic quantum mechanics

    Institute of Scientific and Technical Information of China (English)

    董宇兵; 王翼展

    2011-01-01

    The transverse charge density of pions is calculated based on relativistic quantum mechanics, where the pion is regarded as a quark-antiquark bound state. Corrections from the two spin-1/2 constituents and from the wave function of a quark and antiquark i

  20. A New High Quality EAF Charge

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In order to solve the problem of the shortage of scrap, especially high quality scrap, granular pig iron, a new substitute for scrap or DRI (direct reduction iron) has been developed. The technical process of decarbonized granular pig iron has been evaluated. The result shows that this new process is superior to direct reduction process in product quality, construction investment, operation flexibility, production efficiency etc. Decarbonized granular pig iron (DGPI) not only can be used as conventional scrap but also can be charged into EAF as high purity burden equivalent to heavy scrap.

  1. Generation of localized magnetic moments in the charge-density-wave state

    OpenAIRE

    Akzyanov, R. S.; Rozhkov, A. V.

    2014-01-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T=0 is mapped. To establish the connection with experiment thermo...

  2. Superconductivity and Charge Density Wave in ZrTe3-xSex.

    Science.gov (United States)

    Zhu, Xiangde; Ning, Wei; Li, Lijun; Ling, Langsheng; Zhang, Ranran; Zhang, Jinglei; Wang, Kefeng; Liu, Yu; Pi, Li; Ma, Yongchang; Du, Haifeng; Tian, Minglian; Sun, Yuping; Petrovic, Cedomir; Zhang, Yuheng

    2016-06-02

    Charge density wave (CDW), the periodic modulation of the electronic charge density, will open a gap on the Fermi surface that commonly leads to decreased or vanishing conductivity. On the other hand superconductivity, a commonly believed competing order, features a Fermi surface gap that results in infinite conductivity. Here we report that superconductivity emerges upon Se doping in CDW conductor ZrTe3 when the long range CDW order is gradually suppressed. Superconducting critical temperature Tc(x) in ZrTe3-xSex (0 ≤ x ≤ 0.1) increases up to 4 K plateau for 0.04 ≤ x ≤ 0.07. Further increase in Se content results in diminishing Tc and filametary superconductivity. The CDW modes from Raman spectra are observed in x = 0.04 and 0.1 crystals, where signature of ZrTe3 CDW order in resistivity vanishes. The electronic-scattering for high Tc crystals is dominated by local CDW fluctuations at high temperatures, the resistivity is linear up to highest measured T = 300 K and contributes to substantial in-plane anisotropy.

  3. SYNCHROTRON-RADIATION X-RAY-DIFFRACTION OF MODULATED STRUCTURES IN CHARGE-DENSITY-WAVE MATERIALS - APPLICATION TO NBSE3

    NARCIS (Netherlands)

    VANSMAALEN, S; DEBOER, JL; COPPENS, P

    1993-01-01

    Synchrotron radiation X-ray diffraction has been performed on niobium triselenide at 20K. The modulation parameters belonging to both Charge-Density-Waves (CDW's) have been determined. The high-temperature CDW is found to comprise of displacements on all atoms of column III, as well as on Se atoms o

  4. 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

  5. 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

  6. Dimensionality-driven phonon softening and incipient charge density wave instability in TiS2

    Science.gov (United States)

    Dolui, Kapildeb; Sanvito, Stefano

    2016-08-01

    Density functional theory and density functional perturbation theory are used to investigate the electronic and vibrational properties of TiS2. Within the local density approximation the material is a semimetal both in the bulk and in the monolayer form. Most interestingly we observe a Kohn anomaly in the bulk phonon dispersion, which turns into a charge density wave instability when TiS2 is thinned to less than four monolayers. Such instability, however, disappears when one calculates the electronic structure with a functional, such as the LDA+U, which returns an insulating ground state. In this situation charge-doping or strain does not bring back the charge density wave instability, whereas the formation of the TiSSe alloy does.

  7. Synthesis of crosslinked poly(styrene--divinylbenzene--sulfopropyl methacrylate) nanoparticles by emulsion polymerization: Tuning the particle size and surface charge density

    Indian Academy of Sciences (India)

    Dhamodaran Arunbabu; Mousumi Hazarika; Somsankar Naik; Tushar Jana

    2009-12-01

    We have synthesized highly charged, crosslinked poly (styrene--divinylbenzene--sulfopropyl methacrylate) copolymer colloidal particles using emulsion polymerization. The effects of concentration of the emulsifier and the initiator on the particle size and the charge density of the colloidal particles are studied. Colloidal particle size is highly dependent upon the concentration of the emulsifier and the initiator. The colloidal particle diameter decreases with increasing concentration of the emulsifier and increases with increasing concentration of the initiator in the polymerization mixture. Number of particles, surface charge density and charges per particle are also functions of both the emulsifier and the initiator concentration. The surface charge density and the number of charges per sphere increase with increasing particle diameter. These copolymer colloid particles self assemble readily and diffract visible light. Polymer hydrogel imbibed with these colloids shows the light diffraction.

  8. Origin of charge density at LaAlO3-on-SrTiO3 heterointerfacespossibility of intrinsic doping

    Energy Technology Data Exchange (ETDEWEB)

    Siemons, W.

    2010-04-29

    As discovered by Ohtomo et al., a large sheet charge density with high mobility exists at the interface between SrTiO{sub 3} and LaAlO{sub 3}. Based on transport, spectroscopic and oxygen-annealing experiments, we conclude that extrinsic defects in the form of oxygen vacancies introduced by the pulsed laser deposition process used by all researchers to date to make these samples is the source of the large carrier densities. Annealing experiments show a limiting carrier density. We also present a model that explains the high mobility based on carrier redistribution due to an increased dielectric constant.

  9. Experimental charge-density studies: data reduction and model quality: the more the better?

    Science.gov (United States)

    Herbst-Irmer, Regine; Stalke, Dietmar

    2017-08-01

    In this review, recent developments concerning data and model quality in experimental charge-density investigations from a personal view-point are described. Data quality is not only achieved by the high resolution, high I/σ(I) values, low merging R values and high multiplicity. The quality of the innermost reflections especially is crucial for mapping the density distribution of the outermost valence electrons and can be monitored by (I/σ)(asymptotic). New detector technologies seem to be promising improvements. Empirical corrections to correct for low-energy contamination of mirror-focused X-ray data and for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering are described. Shashlik-like residual density patterns can indicate the need for an anharmonic description of the thermal motion of individual atoms. The physical reliability of the derived model must be thoroughly analysed. The derived probability density functions for the mean-squared atomic vibrational displacements especially should have only small negative values. The treatment of H atoms has been improved by methods to estimate anisotropic thermal motion. For very high resolution data, the polarization of the core density cannot be neglected. Several tools to detect systematic errors are described. A validation tool is presented that easily detects when the refinement of additional parameters yields a real improvement in the model or simply overfits the given data. In all investigated structures, it is proved that the multipole parameters of atoms with a comparable chemical environment should be constrained to be identical. The use of restraints could be a promising alternative.

  10. A relativistic non-relativistic Goldstone theorem: gapped Goldstones at finite charge density

    CERN Document Server

    Nicolis, Alberto

    2012-01-01

    We adapt the Goldstone theorem to study spontaneous symmetry breaking in relativistic theories at finite charge density. It is customary to treat systems at finite density via non-relativistic Hamiltonians. Here we highlight the importance of the underlying relativistic dynamics. This leads to seemingly new results whenever the charge in question is spontaneously broken and does not commute with other broken charges. These would normally be associated with gapless Goldstone excitations. We find that, in fact, their currents interpolate gapped excitations. We derive exact non-perturbative expressions for their gaps, in terms of the chemical potential and of the symmetry algebra.

  11. Single-charge-exchange reactions and the neutron density at the surface of the nucleus

    Science.gov (United States)

    Loc, Bui Minh; Auerbach, Naftali; Khoa, Dao T.

    2017-07-01

    In this paper, we study the charge-exchange reaction to the isobaric analog state using two types of transition densities. One transition density is equal to the difference of the total neutron density minus the total proton density and the other one is the density of the excess neutrons only. We show that for projectiles that do not probe the interior of the nucleus but mostly the surface of this nucleus, distinct differences in the cross section arise when two types of transition densities are employed. We demonstrate this by considering the (3He,t ) reaction.

  12. Highly efficient charged particle veto detector CUP

    Energy Technology Data Exchange (ETDEWEB)

    Palacz, M. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland)]. E-mail: palacz@slcj.uw.edu.pl; Nyberg, J. [Department of Radiation Sciences, Uppsala University, Uppsala (Sweden); Bednarczyk, P. [Institute de Recherches Subatomiques, Strasbourg (France); Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Cracow (Poland); Dworski, J. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Gorska, M. [Gesellschaft fuer Schwerionenforschung, Darmstadt (Germany); Iwanicki, J. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Kapusta, M. [Soltan Institute for Nuclear Studies, Swierk (Poland); Kownacki, J. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Kulczycka, E. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Lagergren, K. [Royal Institute of Technology, Stockholm (Sweden); Moszynski, M. [Soltan Institute for Nuclear Studies, Swierk (Poland); Pienkowski, L. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Stolarz, A. [Heavy Ion Laboratory, Warsaw University, ul. Pasteura 5A, PL 02-093 Warsaw (Poland); Wolski, D. [Soltan Institute for Nuclear Studies, Swierk (Poland); Zieblinski, M. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Cracow (Poland)

    2005-09-11

    A novel, highly efficient, plastic scintillator detector has been constructed. The primary application of the detector is to act as a veto device in heavy-ion-induced fusion-evaporation reactions, in which the structure of proton-rich nuclides is investigated by {gamma}-ray spectroscopy methods. The detector rejects events in which light charged particles, like protons and {alpha} particles, are emitted in the evaporation process, facilitating selection of reaction channels associated with emission of only neutrons. The detector was used in a EUROBALL experiment, with achieved efficiencies of 80% and 63% for protons and {alpha} particles, respectively. The design of the detector, its performance and limitations are discussed.

  13. Experimental recombination rates for highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Reinhold Schuch [Dept. of Atomic Physics, Stockholm Univ., Frescativ., Stockholm (Sweden)

    2000-01-01

    Recent studies of recombination between free electrons and highly charged ions using electron coolers of heavy-ion storage rings have produced accurate rate coefficients of interest for plasma modeling and diagnostics. Some surprises were discovered which can lead to revisions of recombination models. With bare ions one finds at low energy a strong and puzzling deviation from radiative recombination theory. Dielectronic recombination with C3+, N4+ show that jj coupling gives essential contributions to the cross section also for light ions. (author)

  14. Like-Charge Attraction between Polyelectrolytes Induced by Counterion Charge Density Waves

    National Research Council Canada - National Science Library

    Thomas E. Angelini; Hongjun Liang; Willy Wriggers; Gerard C. L. Wong

    2003-01-01

    ...) Intermolecular and Surface Forces (Academic, London), 2nd ed.]. Like-charge attractions, however, have been observed in a variety of systems [Gelbart, W. M., Bruinsma, R. F., Pincus, P. A. & Parsegian, V. A. (2000) Phys. Today 53, 38-44...

  15. In situ unravelling structural modulation across the charge-density-wave transition in vanadium disulfide.

    Science.gov (United States)

    Sun, Xu; Yao, Tao; Hu, Zhenpeng; Guo, Yuqiao; Liu, Qinghua; Wei, Shiqiang; Wu, Changzheng

    2015-05-28

    A deep understanding of the relationship between electronic and structure ordering across the charge-density-wave (CDW) transition is crucial for both fundamental study and technological applications. Herein, using in situ X-ray absorption fine structure (XAFS) spectroscopy coupled with high-resolution transmission electron microscopy (HRTEM), we have illustrated the atomic-level information on the local structural evolution across the CDW transition and its influence on the intrinsic electrical properties in VS2 system. The structure transformation, which is highlighted by the formation of vanadium trimers with derivation of V-V bond length (ΔR = 0.10 Å), was clearly observed across the CDW process. Moreover, the corresponding influence of lattice variation on the electronic behavior was clearly characterized by experimental results as well as theoretical analysis, which demonstrated that vanadium trimers drive the deformation of space charge density distribution into √3 ×√3 periodicity, with the conductivity of a1g band reducing by half. These observations directly unveiled the close connection between lattice evolution and electronic property variation, paving a new avenue for understanding the intrinsic nature of electron-lattice interactions in the VS2 system and other isostructural transition metal dichalcogenides across the CDW transition process.

  16. 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

    .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...

  17. High-density lipoprotein cholesterol: How High

    Directory of Open Access Journals (Sweden)

    G Rajagopal

    2012-01-01

    Full Text Available The high-density lipoprotein cholesterol (HDL-C is considered anti-atherogenic good cholesterol. It is involved in reverse transport of lipids. Epidemiological studies have found inverse relationship of HDL-C and coronary heart disease (CHD risk. When grouped according to HDL-C, subjects having HDL-C more than 60 mg/dL had lesser risk of CHD than those having HDL-C of 40-60 mg/dL, who in turn had lesser risk than those who had HDL-C less than 40 mg/dL. No upper limit for beneficial effect of HDL-C on CHD risk has been identified. The goals of treating patients with low HDL-C have not been firmly established. Though many drugs are known to improve HDL-C concentration, statins are proven to improve CHD risk and mortality. Cholesteryl ester transfer protein (CETP is involved in metabolism of HDL-C and its inhibitors are actively being screened for clinical utility. However, final answer is still awaited on CETP-inhibitors.

  18. Isovector coupling channel and central properties of the charge density distribution in heavy spherical nuclei

    Indian Academy of Sciences (India)

    S Haddad

    2010-09-01

    The influence of the isovector coupling channel on the central depression parameter and the central value of the charge density distribution in heavy spherical nuclei was studied. The isovector coupling channel leads to about 50% increase of the central depression parameter, and weakens the dependency of both central depression parameter and central density on the asymmetry, impressively contributing to the semibubble form of the charge density distribution in heavy nuclei, and increasing the probability of larger nuclei with higher proton numbers and higher neutron-to-proton ratios stable.

  19. Density Functional Theory Approach for Charged Hard Sphere Fluids Confined in Spherical Micro-Cavity

    Institute of Scientific and Technical Information of China (English)

    KANG Yan-Shuang; WANG Hai-Jun

    2009-01-01

    Within the framework of the density functional theory for classical fluids,the equilibrium density profiles of charged hard sphere fluid confined in micro-cavity are studied by means of the modified fundamental measure theory.The dimension of micro-cavity,the charge of hard sphere and the applied electric field are found to have significant effects on the density profiles.In particular,it is shown that Coulomb interaction,excluded volume interaction and applied electric Geld play the central role in controlling the aggregated structure of the system.

  20. Coulomb crystallization of highly charged ions.

    Science.gov (United States)

    Schmöger, L; Versolato, O O; Schwarz, M; Kohnen, M; Windberger, A; Piest, B; Feuchtenbeiner, S; Pedregosa-Gutierrez, J; Leopold, T; Micke, P; Hansen, A K; Baumann, T M; Drewsen, M; Ullrich, J; Schmidt, P O; López-Urrutia, J R Crespo

    2015-03-13

    Control over the motional degrees of freedom of atoms, ions, and molecules in a field-free environment enables unrivalled measurement accuracies but has yet to be applied to highly charged ions (HCIs), which are of particular interest to future atomic clock designs and searches for physics beyond the Standard Model. Here, we report on the Coulomb crystallization of HCIs (specifically (40)Ar(13+)) produced in an electron beam ion trap and retrapped in a cryogenic linear radiofrequency trap by means of sympathetic motional cooling through Coulomb interaction with a directly laser-cooled ensemble of Be(+) ions. We also demonstrate cooling of a single Ar(13+) ion by a single Be(+) ion-the prerequisite for quantum logic spectroscopy with a potential 10(-19) accuracy level. Achieving a seven-orders-of-magnitude decrease in HCI temperature starting at megakelvin down to the millikelvin range removes the major obstacle for HCI investigation with high-precision laser spectroscopy.

  1. Radioactive decays of highly-charged ions

    Directory of Open Access Journals (Sweden)

    Gao B. S.

    2015-01-01

    Full Text Available Access to stored and cooled highly-charged radionuclides offers unprecedented opportunities to perform high-precision investigations of their decays. Since the few-electron ions, e.g. hydrogen- or helium-like ions, are quantum mechanical systems with clear electronic ground state configurations, the decay studies of such ions are performed under well-defined conditions and allow for addressing fundamental aspects of the decay process. Presented here is a compact review of the relevant experiments conducted at the Experimental Storage Ring ESR of GSI. A particular emphasis is given to the investigations of the two-body beta decay, namely the bound-state β-decay and its time-mirrored counterpart, orbital electron-capture.

  2. Charge conservation effects for high order fluctuations

    CERN Document Server

    Begun, Viktor

    2016-01-01

    The exact charge conservation significantly impacts multiplicity fluctuations. The result depends strongly on the part of the system charge carried by the particles of interest. Along with the expected suppression of fluctuations for large systems, charge conservation may lead to negative skewness or kurtosis for small systems.

  3. Spatial distribution of electrons near the Fermi level in the metallic LaB6 through accurate X-ray charge density study

    Science.gov (United States)

    Kasai, Hidetaka; Nishibori, Eiji

    2017-01-01

    Charge densities of iso-structural metal hexaborides, a transparent metal LaB6 and a semiconductor BaB6, have been determined using the d > 0.22 Å ultra-high resolution synchrotron radiation X-ray diffraction data by a multipole refinement and a maximum entropy method (MEM). The quality of the experimental charge densities was evaluated by comparison with theoretical charge densities. The strong inter-octahedral and relatively weak intra-octahedral boron-boron bonds were observed in the charge densities. A difference of valence charge densities between LaB6 and BaB6 was calculated to reveal a small difference between isostructural metal and semiconductor. The weak electron lobes distributed around the inter B6 octahedral bond were observed in the difference density. We found the electron lobes are the conductive π-electrons in LaB6 from the comparison with the theoretical valence charge density. We successfully observed a spatial distribution of electrons near the Fermi level from the X-ray charge density study of the series of iso-structural solids. PMID:28120900

  4. A numerical study on charged-particle scattering and radiography of a steep density gradient

    Science.gov (United States)

    Shao, Guangchao; Wang, Xiaofang

    2016-09-01

    Electron and proton radiography of polystyrene planar targets with different density gradients is studied by Monte Carlo simulations in a regime that the incident charged-particle's kinetic energy is much higher than its energy loss in the targets. It is shown that by scattering of the electrons or protons, the density gradient causes modulations of the charged-particle beam transmitted from the target and the modulation contrast is sensitive only to a steep gradient, which suggests a novel diagnostic method wherein a steep density gradient could be distinguished from the scattering of a charged-particle beam in radiography. By using a 100-MeV charged-particle beam, it is found that the modulation is evident for a steep density gradient of width smaller than 1 μm for electron radiography and 0.6 μm for proton radiography, respectively, but almost negligible when the density gradient width is greater than 1 μm. The feasibility of diagnosing the steep density gradients in compressed matter is confirmed by the simulations of radiographing a laser-ablated planar foil. Simulations also show that it is possible to diagnose the density gradients inside a multilayered spherical capsule.

  5. Precision mass measurements of highly charged ions

    Science.gov (United States)

    Kwiatkowski, A. A.; Bale, J. C.; Brunner, T.; Chaudhuri, A.; Chowdhury, U.; Ettenauer, S.; Frekers, D.; Gallant, A. T.; Grossheim, A.; Lennarz, A.; Mane, E.; MacDonald, T. D.; Schultz, B. E.; Simon, M. C.; Simon, V. V.; Dilling, J.

    2012-10-01

    The reputation of Penning trap mass spectrometry for accuracy and precision was established with singly charged ions (SCI); however, the achievable precision and resolving power can be extended by using highly charged ions (HCI). The TITAN facility has demonstrated these enhancements for long-lived (T1/2>=50 ms) isobars and low-lying isomers, including ^71Ge^21+, ^74Rb^8+, ^78Rb^8+, and ^98Rb^15+. The Q-value of ^71Ge enters into the neutrino cross section, and the use of HCI reduced the resolving power required to distinguish the isobars from 3 x 10^5 to 20. The precision achieved in the measurement of ^74Rb^8+, a superallowed β-emitter and candidate to test the CVC hypothesis, rivaled earlier measurements with SCI in a fraction of the time. The 111.19(22) keV isomeric state in ^78Rb was resolved from the ground state. Mass measurements of neutron-rich Rb and Sr isotopes near A = 100 aid in determining the r-process pathway. Advanced ion manipulation techniques and recent results will be presented.

  6. Direct Observation of Spin- and Charge-Density Waves in a Luttinger Liquid

    Science.gov (United States)

    Cao, Chenglin; Marcum, Andrew; Mawardi Ismail, Arif; Fonta, Francisco; O'Hara, Kenneth

    2016-05-01

    At low energy, interacting fermions in one dimension (e.g. electrons in quantum wires or fermionic atoms in 1D waveguides) should behave as Luttinger liquids. In stark contrast to Fermi liquids, the low-energy elementary excitations in Luttinger liquids are collective sound-like modes that propagate independently as spin-density and/or charge-density (i.e. particle-density) waves with generally unequal, and interaction-dependent, velocities. Here we aim to unambiguously confirm this hallmark feature of the Luttinger liquid - the phenomenon of spin-charge separation - by directly observing in real space the dynamics of spin-density and ``charge''-density waves excited in an ultracold gas of spin-1/2 fermions confined in an array of 1D optical waveguides. Starting from a two-component mixture of 6 Li atoms harmonically confined along each of the 1D waveguides, we excite low lying normal modes of the trapped system - namely the spin dipole and density dipole and quadrupole modes - and measure their frequency as a function of interaction strength. Luttinger liquid theory predicts that the spin dipole frequency is strongly dependent on interaction strength whereas the density dipole and quadrupole mode frequencies are relatively insensitive. We will also discuss extending our approach to exciting localized spin density and particle density wavepackets which should propagate at different velocities. Supported by AFOSR and NSF.

  7. Theoretical study of the central depression of nuclear charge density distribution by electron scattering

    Institute of Scientific and Technical Information of China (English)

    LIU Jian; CHU Yan-Yun; REN Zhong-Zhou; WANG Zai-Jun

    2012-01-01

    The charge form factors of elastic electron scattering for isotones with N =20 and N =28 are calculated using the phase-shift analysis method,with corresponding charge density distributions from relativistic mean-field theory.The results show that there are sharp variations at the inner parts of charge distributions with the proton number decreasing.The corresponding charge form factors are divided into two groups because of the unique properties of the s-states wave functions,though the proton numbers change uniformly in two isotonic chains.Meanwhile,the shift regularities of the minima are also discussed,and we give a clear relation between the minima of the charge form factors and the corresponding charge radii.This relation is caused by the diffraction effect of the electron.Under this conclusion,we calculate the charge density distributions and the charge form factors of the A =44 nuclei chain.The results are also useful for studying the central depression in light exotic nuclei.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hoeng, Fanny; Denneulin, Aurore [Université Grenoble Alpes, LGP2 (France); Neuman, Charles [Poly-Ink (France); Bras, Julien, E-mail: julien.bras@grenoble-inp.fr [Université Grenoble Alpes, LGP2 (France)

    2015-06-15

    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.

  9. 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...

  10. Importing low-density ideas to high-density revitalisation

    DEFF Research Database (Denmark)

    Anrholtz, Jens; Ibsen, Christian Lyhne; Ibsen, Flemming

    2016-01-01

    Why did union officials from a high-union-density country like Denmark choose to import an organising strategy from low-density countries such as the US and the UK? Drawing on in-depth interviews with key union officials and internal documents, the authors of this article argue two key points. Fi...... cherry-pick some elements while leaving fundamental aspects out. The study nevertheless indicates that a lack of coherency and model-fit to Danish industrial relations might hamper the positive effects of the organising strategy....

  11. Finite-size effects in quasi-one-dimensional conductors with a charge-density wave

    Energy Technology Data Exchange (ETDEWEB)

    Zaitsev-Zotov, Sergei V [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, Moscow (Russian Federation)

    2004-06-30

    Recent studies of finite-size effects in charge-density wave conductors are reviewed. Various manifestations of finite-size effects, including the transverse-size dependence of the nonlinear-conduction threshold field, the Peierls transition temperature, high-frequency conduction, and the relaxation rates of metastable states, are discussed. Resistivity jumps in thin samples, the smeared threshold field for nonlinear conduction, and threshold conduction above the Peierls transition temperature are considered, as are mesoscopic oscillations of the threshold field, one-dimensional conduction in thin crystals, absolute negative conductivity of quasi-one-dimensional conductors, the length dependence of the phase-slip voltage, and the Aharonov-Bohm oscillations in sliding CDWs. Problems yet to be solved are discussed. (reviews of topical problems)

  12. Possibility of charge density wave transition in a SrPt2Sb2 superconductor.

    Science.gov (United States)

    Ibuka, Soshi; Imai, Motoharu

    2016-04-27

    The first-order transition at T(0) =  270 K for the platinum-based SrPt2Sb2 superconductor was investigated using x-ray diffraction and magnetic susceptibility measurements. When polycrystalline SrPt2Sb2 was cooled down through T(0), the structure was transformed from monoclinic to a modulated orthorhombic structure, and no magnetic order was formed, which illustrates the possibility of a charge density wave (CDW) transition at T(0). SrPt2Sb2 can thus be a new example to examine the interplay of CDW and superconductivity in addition to SrPt2As2, BaPt2As2, and LaPt2Si2. It is unique that the average structure of the low-temperature phase has higher symmetry than that of the high-temperature phase.

  13. High Energy Density Capacitors Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Capacitor size and reliability are often limiting factors in pulse power, high speed switching, and power management and distribution (PMAD) systems. T/J...

  14. Charge carrier density dependence of the hole mobility in poly(p-phenylene vinylene)

    OpenAIRE

    Tanase, C; Blom, PWM; De Leeuw, DM; de Meijer, EJ

    2004-01-01

    The hole transport in various poly(p-phenylene vinylene) (PPV) derivatives has been investigated in field-effect transistors (FETs) and light-emitting diodes (LEDs) as a function of temperature and applied bias. The discrepancy between the experimental hole mobilities extracted from FETs and LEDs based on a single disordered polymeric semiconductor originates from the strong dependence of the hole mobility on the charge carrier density. The microscopic charge transport parameters are directly...

  15. Vortex Dynamics in Selfdual Maxwell-Higgs Systems with Uniform Background Electric Charge Density

    CERN Document Server

    Lee, K M

    1994-01-01

    We introduce selfdual Maxwell-Higgs systems with uniform background electric charge density and show that the selfdual equations satisfied by topological vortices can be reduced to the original Bogomol'nyi equations without any background. These vortices are shown to carry no spin but to feel the Magnus force due to the shielding charge carried by the Higgs field. We also study the dynamics of slowly moving vortices and show that the spin-statistics theorem holds to our vortices.

  16. Energy and centrality dependences of charged multiplicity pseudorapidity density in relativistic nuclear collisions

    CERN Document Server

    Zhou Dai Mei; Sá Ben-Hao; Li Zhong Dao

    2002-01-01

    Using a hadron and string cascade model, JPCIAE, and the corresponding Monte Carlo events generator, the energy and centrality dependences of charged particle pseudorapidity density in relativistic nuclear collisions were studied. Within the framework of this model, both the relativistic p anti p experimental data and the PHOBOS and PHENIX Au + Au data could be reproduced fairly well without retuning the model parameters. The author shows that since is not a well defined physical variable both experimentally and theoretically, the charged particle pseudorapidity density per participant pair can increase and also can decrease with increasing of , so it may be hard to use charged particle pseudorapidity density per participant pair as a function of to distinguish various theoretical models for particle production

  17. Electronic DC transformer with high power density

    NARCIS (Netherlands)

    Pavlovský, M.

    2006-01-01

    This thesis is concerned with the possibilities of increasing the power density of high-power dc-dc converters with galvanic isolation. Three cornerstones for reaching high power densities are identified as: size reduction of passive components, reduction of losses particularly in active components

  18. LMO dielectronic resonances in highly charged bismuth

    Science.gov (United States)

    Smiga, Joseph; Gillaspy, John; Podpaly, Yuri; Ralchenko, Yuri

    2016-05-01

    Dielectronic resonances from high-Z elements are important for the analysis of high temperature plasmas. Thus, the extreme ultraviolet spectra of highly charged bismuth were measured using the NIST electron beam ion trap (EBIT) at beam energies ranging from 8.7 keV to 9.2 keV. The measured intensity ratios between forbidden magnetic-dipole lines in Bi64+ and Bi63+ show strong resonance features. The experimental data were compared to theoretical predictions from a large-scale collisional-radiative model with the code NOMAD, and good agreement was found that allowed the identification of observed resonance features as the LMO inner-shell dielectronic resonances. It is common practice in EBIT experiments that ions are periodically dumped from the trap and replaced. However, in this particular experiment, the contents of the trap were not dumped for the duration of each 10 minute sampling. The effects of trap stability were studied and a small but noticeable shift in beam energy over time was observed. Potential explanations for this are considered.

  19. Multi-frequency inversion-charge pumping for charge separation and mobility analysis in high-k/InGaAs metal-oxide-semiconductor field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Djara, V.; Cherkaoui, K.; Negara, M. A.; Hurley, P. K., E-mail: paul.hurley@tyndall.ie [Tyndall National Institute, University College Cork, Dyke Parade, Cork (Ireland)

    2015-11-28

    An alternative multi-frequency inversion-charge pumping (MFICP) technique was developed to directly separate the inversion charge density (N{sub inv}) from the trapped charge density in high-k/InGaAs metal-oxide-semiconductor field-effect transistors (MOSFETs). This approach relies on the fitting of the frequency response of border traps, obtained from inversion-charge pumping measurements performed over a wide range of frequencies at room temperature on a single MOSFET, using a modified charge trapping model. The obtained model yielded the capture time constant and density of border traps located at energy levels aligned with the InGaAs conduction band. Moreover, the combination of MFICP and pulsed I{sub d}-V{sub g} measurements enabled an accurate effective mobility vs N{sub inv} extraction and analysis. The data obtained using the MFICP approach are consistent with the most recent reports on high-k/InGaAs.

  20. High regression rate, high density hybrid fuels Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR program will investigate high energy density novel nanofuels combined with high density binders for use with an N2O oxidizer. Terves has developed...

  1. Theoretical description of pump/probe experiments in electron-mediated charge-density-wave insulators

    Science.gov (United States)

    Freericks, J. K.; Matveev, O. P.; Shen, Wen; Shvaika, A. M.; Devereaux, T. P.

    2017-03-01

    In this review, we develop the formalism employed to describe charge-density-wave insulators in pump/probe experiments that use ultrashort driving pulses of light. The theory emphasizes exact results in the simplest model for a charge-density-wave insulator (given by a noninteracting system with two bands and a gap) and employs nonequilibrium dynamical mean-field theory to solve the Falicov-Kimball model in its ordered phase. We show how to develop the formalism and how the solutions behave. Care is taken to describe the details behind these calculations and to show how to verify their accuracy via sum-rule constraints.

  2. Interplay between the orbital quantization and Pauli effect in a charge-density-wave organic conductor

    Science.gov (United States)

    Kartsovnik, Mark; Andres, Dieter; Grigoriev, Pavel; Biberacher, Werner; Müller, Harald

    2004-04-01

    The interlayer magnetoresistance of the low-dimensional organic metal α-(BEDT-TTF) 2KHg(SCN) 4 under pressure shows features which are likely associated with theoretically predicted field-induced charge-density-wave (FICDW) transitions. At ambient pressure, a magnetic field strongly tilted towards the conducting layers induces a series of hysteretic anomalies. We attribute these anomalies to a novel kind of FICDW originating from a superposition of the orbital quantization of the nesting vector and Pauli effect on the charge-density wave.

  3. Interplay between the orbital quantization and Pauli effect in a charge-density-wave organic conductor

    Energy Technology Data Exchange (ETDEWEB)

    Kartsovnik, Mark; Andres, Dieter; Grigoriev, Pavel; Biberacher, Werner; Mueller, Harald

    2004-04-30

    The interlayer magnetoresistance of the low-dimensional organic metal {alpha}-(BEDT-TTF){sub 2}KHg(SCN){sub 4} under pressure shows features which are likely associated with theoretically predicted field-induced charge-density-wave (FICDW) transitions. At ambient pressure, a magnetic field strongly tilted towards the conducting layers induces a series of hysteretic anomalies. We attribute these anomalies to a novel kind of FICDW originating from a superposition of the orbital quantization of the nesting vector and Pauli effect on the charge-density wave.

  4. Analysis of charge photogeneration as a key determinant of photocurrent density in polymer: fullerene solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Tracey M.; Shoaee, Safa; Soon, Ying W.; Durrant, James R. [Centre for Plastic Electronics, Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Ballantyne, Amy; Nelson, Jenny [Centre for Plastic Electronics, Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Duffy, Warren; Heeney, Martin; McCulloch, Iain [Centre for Plastic Electronics, Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Merck Chemicals, Chilworth Science Park, Southampton SO16 7QD (United Kingdom)

    2010-12-07

    Charge photogeneration: The correlation between the efficiency of photogeneration of dissociated polarons and photocurrent densities for organic solar cells based on polymer:fullerene blend films is investigated. Optical assays of polaron yield measured in films without electrodes show a remarkably clear correlation with short circuit density and quantum yield measured in complete devices. For the blend films studied herein, the primary determinant of photocurrent generation is the efficiency of dissociation of photogenerated charges away from the polymer/fullerene interface and the primary loss pathway is geminate recombination. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. 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.

  6. High energy density lithium batteries

    CERN Document Server

    Aifantis, Katerina E; Kumar, R Vasant

    2010-01-01

    Cell phones, portable computers and other electronic devices crucially depend on reliable, compact yet powerful batteries. Therefore, intensive research is devoted to improving performance and reducing failure rates. Rechargeable lithium-ion batteries promise significant advancement and high application potential for hybrid vehicles, biomedical devices, and everyday appliances. This monograph provides special focus on the methods and approaches for enhancing the performance of next-generation batteries through the use of nanotechnology. Deeper understanding of the mechanisms and strategies is

  7. Charge Breeding Techniques in an Electron Beam Ion Trap for High Precision Mass Spectrometry at TITAN

    Science.gov (United States)

    MacDonald, T. D.; Simon, M. C.; Bale, J. C.; Chowdhury, U.; Eibach, M.; Gallant, A. T.; Lennarz, A.; Simon, V. V.; Chaudhuri, A.; Grossheim, A.; Kwiatkowski, A. A.; Schultz, B. E.; Dilling, J.

    2012-10-01

    Penning trap mass spectrometry is the most accurate and precise method available for performing atomic mass measurements. TRIUMF's Ion Trap for Atomic and Nuclear science is currently the only facility to couple its Penning trap to a rare isotope facility and an electron beam ion trap (EBIT). The EBIT is a valuable tool for beam preparation: since the precision scales linearly with the charge state, it takes advantage of the precision gained by using highly charged ions. However, this precision gain is contingent on fast and efficient charge breeding. An optimization algorithm has been developed to identify the optimal conditions for running the EBIT. Taking only the mass number and half-life of the isotope of interest as inputs, the electron beam current density, charge breeding time, charge state, and electron beam energy are all specified to maximize this precision. An overview of the TITAN charge breeding program, and the results of charge breeding simulations will be presented.

  8. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2

    Science.gov (United States)

    Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; Zhang, Yi; Ryu, Hyejin; Ugeda, Miguel M.; Hussain, Zahid; Shen, Zhi-Xun; Mo, Sung-Kwan; Wong, Ed; Salmeron, Miquel B.; Wang, Feng; Crommie, Michael F.; Ogletree, D. Frank; Neaton, Jeffrey B.; Weber-Bargioni, Alexander

    2016-08-01

    We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe2 and MoS2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent density of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.

  9. Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

    Science.gov (United States)

    Yang, Weitao; Mori-Sánchez, Paula; Cohen, Aron J

    2013-09-14

    The exact conditions for density functionals and density matrix functionals in terms of fractional charges and fractional spins are known, and their violation in commonly used functionals has been shown to be the root of many major failures in practical applications. However, approximate functionals are designed for physical systems with integer charges and spins, not in terms of the fractional variables. Here we develop a general framework for extending approximate density functionals and many-electron theory to fractional-charge and fractional-spin systems. Our development allows for the fractional extension of any approximate theory that is a functional of G(0), the one-electron Green's function of the non-interacting reference system. The extension to fractional charge and fractional spin systems is based on the ensemble average of the basic variable, G(0). We demonstrate the fractional extension for the following theories: (1) any explicit functional of the one-electron density, such as the local density approximation and generalized gradient approximations; (2) any explicit functional of the one-electron density matrix of the non-interacting reference system, such as the exact exchange functional (or Hartree-Fock theory) and hybrid functionals; (3) many-body perturbation theory; and (4) random-phase approximations. A general rule for such an extension has also been derived through scaling the orbitals and should be useful for functionals where the link to the Green's function is not obvious. The development thus enables the examination of approximate theories against known exact conditions on the fractional variables and the analysis of their failures in chemical and physical applications in terms of violations of exact conditions of the energy functionals. The present work should facilitate the calculation of chemical potentials and fundamental bandgaps with approximate functionals and many-electron theories through the energy derivatives with respect to the

  10. Induced fermionic charge and current densities in two-dimensional rings

    CERN Document Server

    Bellucci, S; Grigoryan, A Kh

    2016-01-01

    For a massive quantum fermionic field, we investigate the vacuum expectation values (VEVs) of the charge and current densities induced by an external magnetic flux in a two-dimensional circular ring. Both the irreducible representations of the Clifford algebra are considered. On the ring edges the bag (infinite mass) boundary conditions are imposed for the field operator. This leads to the Casimir type effect on the vacuum characteristics. The radial current vanishes. The charge and the azimuthal current are decomposed into the boundary-free and boundary-induced contributions. Both these contributions are odd periodic functions of the magnetic flux with the period equal to the flux quantum. An important feature that distinguishes the VEVs of the charge and current densities from the VEV of the energy density, is their finiteness on the ring edges. The current density is equal to the charge density for the outer edge and has the opposite sign on the inner edge. The VEVs are peaked near the inner edge and, as f...

  11. (The physics of highly charged ions)

    Energy Technology Data Exchange (ETDEWEB)

    Phaneuf, R.A.

    1990-10-12

    The Fifth International Conference on the Physics of Highly Charged Ions drew more than 200 participants, providing an excellent overview of this growing field. Important technical developments and experimental results in electron-ion collisions were reported. The merging of fast ion beams from accelerators or storage rings with advanced high-intensity electron-beam targets has yielded data of unprecedented quality on radiative and dielectronic recombination, providing stringent tests of theory. Long-awaited technical innovations in electron-impact excitation measurements were also reported. The level of activity in multicharged ion-surface interactions has increased. More sophisticated experimental studies of the neutralization process have shown the inadequacy of previously accepted mechanisms, and theoretical activity in this area is just being initiated. The IAEA meetings addressed atomic and molecular data needs for fusion research, with ITER providing a key focus. Such data are especially critical to modeling and diagnostics of the edge plasma. The ALADDIN data base system has been universally accepted and has streamlined the exchange of numerical data among data centers and the fusion community. The IAEA continues to play a pivotal role in the identification of data needs, and in the coordination of data compilation and research activities for fusion applications.

  12. Density decrease in vanadium-base alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Galvin, T.M.; Smith, D.L. [Argonne National Laboratory, Chicago, IL (United States)

    1996-04-01

    Combined effects of dynamically charged helium and neutron damage on density decrease (swelling) of V-4Cr-4Ti, V-5Ti, V-3Ti-1Si, and V-8Cr-6Ti alloys have been determined after irradiation to 18-31 dpa at 425-600{degrees}C in the Dynamic helium Charging Experiment (DHCE). To ensure better accuracy in density measurement, broken pieces of tensile specimens {approx} 10 times heavier than a transmission electron microscopy (TEM) disk were used. Density increases of the four alloys irradiated in the DHCE were <0.5%. This small change seems to be consistent with the negligible number density of microcavities characterized by TEM. Most of the dynamically produced helium atoms seem to have been trapped in the grain matrix without significant cavity nucleation or growth.

  13. Charged impurity scattering limited low temperature resistivity of low density silicon inversion layers

    OpenAIRE

    Sarma, S. Das; Hwang, E. H.

    1998-01-01

    We calculate within the Boltzmann equation approach the charged impurity scattering limited low temperature electronic resistivity of low density $n$-type inversion layers in Si MOSFET structures. We find a rather sharp quantum to classical crossover in the transport behavior in the $0 - 5$K temperature range, with the low density, low temperature mobility showing a strikingly strong non-monotonic temperature dependence, which may qualitatively explain the recently observed anomalously strong...

  14. 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.)

  15. Giant Nernst effect in the incommensurate charge density wave state of P4W12O44

    Science.gov (United States)

    Kolincio, Kamil K.; Daou, Ramzy; Pérez, Olivier; Guérin, Laurent; Fertey, Pierre; Pautrat, Alain

    2016-12-01

    We report the study of Nernst effect in quasi-low-dimensional tungsten bronze P4W12O44 showing a sequence of Peierls instabilities. We demonstrate that both condensation of the electronic carriers in the charge density wave state and the existence of high-mobility electrons and holes originating from the small pockets remaining in the incompletely nested Fermi surface give rise to a Nernst effect of a magnitude similar to that observed in heavy fermion compounds.

  16. Production of High-Intensity, Highly Charged Ions

    OpenAIRE

    S. GamminoINFN, LNS, Catania

    2014-01-01

    In the past three decades, the development of nuclear physics facilities for fundamental and applied science purposes has required an increasing current of multicharged ion beams. Multiple ionization implies the formation of dense and energetic plasmas, which, in turn, requires specific plasma trapping configurations. Two types of ion source have been able to produce very high charge states in a reliable and reproducible way: electron beam ion sources (EBIS) and electron cyc...

  17. Waveform measurement of charge- and spin-density wavepackets in a chiral Tomonaga-Luttinger liquid

    Science.gov (United States)

    Hashisaka, M.; Hiyama, N.; Akiho, T.; Muraki, K.; Fujisawa, T.

    2017-06-01

    In contrast to a free-electron system, a Tomonaga-Luttinger (TL) liquid in a one-dimensional (1D) electron system hosts charge and spin excitations as independent entities. When an electron is injected into a TL liquid, it transforms into charge- and spin-density wavepackets that propagate at different group velocities and move away from each other. This process, known as spin-charge separation, is the hallmark of TL physics. While spin-charge separation has been probed in momentum- or frequency-domain measurements in various 1D systems, waveforms of separated excitations, which are a direct manifestation of the TL behaviour, have been long awaited to be measured. Here, we present a waveform measurement for the pseudospin-charge separation process in a chiral TL liquid comprising quantum Hall edge channels. The charge- and pseudospin-density waveforms are captured by utilizing a spin-resolved sampling scope that records the spin-up or -down component of the excitations. This experimental technique provides full information for time evolution of the 1D electron system, including not only propagation of TL eigenmodes but also their decay in a practical device.

  18. Frequency metrology using highly charged ions

    Science.gov (United States)

    Crespo López-Urrutia, J. R.

    2016-06-01

    Due to the scaling laws of relativistic fine structure splitting, many forbidden optical transitions appear within the ground state configurations of highly charged ions (HCI). In some hydrogen-like ions, even the hyperfine splitting of the 1s ground state gives rise to optical transitions. Given the very low polarizability of HCI, such laser-accessible transitions are extremely impervious to external perturbations and systematics that limit optical clock performance and arise from AC and DC Stark effects, such as black-body radiation and light shifts. Moreover, AC and DC Zeeman splitting are symmetric due to the much larger relativistic spin-orbit coupling and corresponding fine-structure splitting. Appropriate choice of states or magnetic sub-states with suitable total angular momentum and magnetic quantum numbers can lead to a cancellation of residual quadrupolar shifts. All these properties are very advantageous for the proposed use of HCI forbidden lines as optical frequency standards. Extremely magnified relativistic, quantum electrodynamic, and nuclear size contributions to the binding energies of the optically active electrons make HCI ideal tools for fundamental research, as in proposed studies of a possible time variation of the fine structure constant. Beyond this, HCI that cannot be photoionized by vacuum-ultraviolet photons could also provide frequency standards for future lasers operating in that range.

  19. Trapped charge densities in Al{sub 2}O{sub 3}-based silicon surface passivation layers

    Energy Technology Data Exchange (ETDEWEB)

    Jordan, Paul M., E-mail: Paul.Jordan@namlab.com; Simon, Daniel K.; Dirnstorfer, Ingo [NaMLab gGmbH, Nöthnitzer Str. 64, D-01187 Dresden (Germany); Mikolajick, Thomas [NaMLab gGmbH, Nöthnitzer Str. 64, D-01187 Dresden (Germany); Chair of Nanoelectronic Materials, TU Dresden, D-01062 Dresden (Germany)

    2016-06-07

    In Al{sub 2}O{sub 3}-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al{sub 2}O{sub 3} layers are grown by atomic layer deposition with very thin (∼1 nm) SiO{sub 2} or HfO{sub 2} interlayers or interface layers. In SiO{sub 2}/Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured in pure Al{sub 2}O{sub 3}. In Al{sub 2}O{sub 3}/SiO{sub 2}/Al{sub 2}O{sub 3} or Al{sub 2}O{sub 3}/HfO{sub 2}/Al{sub 2}O{sub 3} stacks, very high total charge densities of up to 9 × 10{sup 12} cm{sup −2} are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al{sub 2}O{sub 3} layer thickness between silicon and the HfO{sub 2} or the SiO{sub 2} interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al{sub 2}O{sub 3} layers opens the possibility to engineer the field-effect passivation in the solar cells.

  20. Density Estimation Trees in High Energy Physics

    CERN Document Server

    Anderlini, Lucio

    2015-01-01

    Density Estimation Trees can play an important role in exploratory data analysis for multidimensional, multi-modal data models of large samples. I briefly discuss the algorithm, a self-optimization technique based on kernel density estimation, and some applications in High Energy Physics.

  1. High-Intensity, High Charge-State Heavy Ion Sources

    CERN Document Server

    Alessi, J

    2004-01-01

    There are many accelerator applications for high intensity heavy ion sources, with recent needs including dc beams for RIA, and pulsed beams for injection into synchrotrons such as RHIC and LHC. The present status of sources producing high currents of high charge state heavy ions will be reviewed. These sources include ECR, EBIS, and Laser ion sources. The benefits and limitations for these type sources will be described, for both dc and pulsed applications. Possible future improvements in these type sources will also be discussed.

  2. High temperature charge amplifier for geothermal applications

    Science.gov (United States)

    Lindblom, Scott C.; Maldonado, Frank J.; Henfling, Joseph A.

    2015-12-08

    An amplifier circuit in a multi-chip module includes a charge to voltage converter circuit, a voltage amplifier a low pass filter and a voltage to current converter. The charge to voltage converter receives a signal representing an electrical charge and generates a voltage signal proportional to the input signal. The voltage amplifier receives the voltage signal from the charge to voltage converter, then amplifies the voltage signal by the gain factor to output an amplified voltage signal. The lowpass filter passes low frequency components of the amplified voltage signal and attenuates frequency components greater than a cutoff frequency. The voltage to current converter receives the output signal of the lowpass filter and converts the output signal to a current output signal; wherein an amplifier circuit output is selectable between the output signal of the lowpass filter and the current output signal.

  3. 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 a

  4. 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 mechani

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

    African Journals Online (AJOL)

    DR. AMINU

    In a typical modern electronic structure calculation, the charge density is obtained from a certain ... normalized Slater atomic orbital for multi-electron atoms and ions. Since the spherical .... are used as a first approximation (John and Stefan, 2003). 124 ..... Dalton, and Thomas R. Kochler (Plenum Press, New. York) p. 183.

  6. Scanning tunneling microscopy in TTF-TCNQ: Phase and amplitude modulated charge density waves

    DEFF Research Database (Denmark)

    Wang, Z.Z.; Gorard, J.C.; Pasquier, C.

    2003-01-01

    Charge density waves (CDWs) have been studied at the surface of a cleaved tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) single crystal using a low temperature scanning tunneling microscope (STM) under ultrahigh-vacuum conditions, between 300 and 33 K with molecular resolution. All CDW...

  7. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

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

    1994-01-01

    of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  8. THEORY OF THE THRESHOLD FIELD FOR THE DEPINNING TRANSITION OF A CHARGE-DENSITY WAVE

    NARCIS (Netherlands)

    PIETRONERO, L; VERSTEEG, M

    1991-01-01

    The Hamiltonian of an elastic string pinned by random potentials is often used to describe the depinning transition of a charge density wave in the presence of impurity pinning. The properties of the pinned states show close analogies to those of glassy systems, while the depinning transition resemb

  9. 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

  10. First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate.

    Science.gov (United States)

    Jarzembska, Katarzyna N; Kamiński, Radosław; Dobrzycki, Lukasz; Cyrański, Michał K

    2014-10-01

    The aim of this study was to test the applicability of a Bruker AXS CMOS-type PHOTON 100 detector for the purpose of a fine charge density quality data collection. A complex crystal containing oxalic acid, ammonium oxalate and two water molecules was chosen as a test case. The data was collected up to a resolution of 1.31 Å(-1) with high completeness (89.1%; Rmrg = 0.0274). The multipolar refinement and subsequent quantum theory of atoms in molecules (QTAIM) analysis resulted in a comprehensive description of the charge density distribution in the crystal studied. The residual density maps are flat and almost featureless. It was possible to derive reliable information on intermolecular interactions to model the anharmonic motion of a water molecule, and also to observe the fine details of the charge density distribution, such as polarization on O and H atoms involved in the strongest hydrogen bonds. When compared with our previous statistical study on oxalic acid data collected with the aid of CCD cameras, the complementary metal-oxide semiconductor (CMOS) detector can certainly be classified as a promising alternative in advanced X-ray diffraction studies.

  11. Molecular electronegativity in density functional theory(Ⅷ) Charge polarization modes in a closed system

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the density functional theory and the atom-bond electronegativity equalization model (ABEEM), a method is proposed to construct the softness matrix and to obtain the electron population normal modes (PNMs) for a closed system. Using this method the information about the bond charge polarization in a molecule can be obtained easily. The test calculation shows that the PNM obtained by this method includes all the modes about the bond charge polarization explicitly. And the bond charge polarization mode characterized by the biggest eigenvalue, which is the softest one of all modes related with chemical bonds, can describe the charge polarization process in a molecule as exquisitely as the corresponding ab initio method.

  12. Modeling noncovalent radical-molecule interactions using conventional density-functional theory: beware erroneous charge transfer.

    Science.gov (United States)

    Johnson, Erin R; Salamone, Michela; Bietti, Massimo; DiLabio, Gino A

    2013-02-07

    Conventional density-functional theory (DFT) has the potential to overbind radical-molecule complexes because of erroneous charge transfer. We examined this behavior by exploring the ability of various DFT approximations to predict fractional charge transfer and by quantifying the overbinding in a series of complexes. It is demonstrated that too much charge is transferred from molecules to radicals when the radical singly unoccupied molecular orbitals are predicted to be erroneously too low in energy relative to the molecule highest occupied molecular orbitals, leading to excessive Coulombic attraction. In this respect, DFT methods formulated with little or no Hartree-Fock exchange perform most poorly. The present results illustrate that the charge-transfer problem is much broader than may have been previously expected and is not limited to conventional (i.e., molecule-molecule) donor-acceptor complexes.

  13. Absolute cross sections for charge capture from Rydberg targets by slow highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    DePaola, B.D.; Huang, M.; Winecki, S.; Stoeckli, M.P.; Kanai, Y. [J. R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas 66506 (United States); Lundeen, S.R.; Fehrenbach, C.W.; Arko, S.A. [Department of Physics, Colorado State University, Fort Collins, Colorado 80523 (United States)

    1995-09-01

    A crossed beam experiment has been used to measure absolute charge capture cross sections in collisions of slow highly charged xenon ions with laser excited Rydberg atoms. The cross sections were measured for scaled projectile velocities {ital nv}{sub {ital p}} from 1.0 to 6.0, for projectile charges of 8, 16, 32, and 40, where {ital n} is the principal quantum number of the target electron. Experimental cross sections are compared with predictions of classical models.

  14. 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 ...

  15. Quantifying the nucleon’s pion cloud with transverse charge densities

    Energy Technology Data Exchange (ETDEWEB)

    Strikman, M.; Weiss, C.

    2010-10-01

    The transverse densities in a fast-moving nucleon offer a model-independent framework for analyzing the spatial structure of the pion cloud and its role in current matrix elements. We calculate the chiral large-distance component of the charge density in a dispersion representation of the form factor and discuss its partonic interpretation. It dominates over the nonchiral density only at surprisingly large distances above ~2 fm. The chiral component can be probed in precision low-Q^2 elastic eN scattering or in peripheral deep-inelastic processes that resolve its quark/gluon content.

  16. Institute for High Energy Density Science

    Energy Technology Data Exchange (ETDEWEB)

    Wootton, Alan [Univ. of Texas, Austin, TX (United States)

    2017-01-13

    The project objective was for the Institute of High Energy Density Science (IHEDS) at the University of Texas at Austin to help grow the High Energy Density (HED) science community, by connecting academia with the Z Facility (Z) and associated staff at Sandia National Laboratories (SNL). IHEDS was originally motivated by common interests and complementary capabilities at SNL and the University of Texas System (UTX), in 2008.

  17. How accurate is Poisson-Boltzmann theory for monovalent ions near highly charged interfaces?

    Science.gov (United States)

    Bu, Wei; Vaknin, David; Travesset, Alex

    2006-06-20

    Surface sensitive synchrotron X-ray scattering studies were performed to obtain the distribution of monovalent ions next to a highly charged interface. A lipid phosphate (dihexadecyl hydrogen-phosphate) was spread as a monolayer at the air-water interface to control surface charge density. Using anomalous reflectivity off and at the L3 Cs+ resonance, we provide spatial counterion (Cs+) distributions next to the negatively charged interfaces. Five decades in bulk concentrations are investigated, demonstrating that the interfacial distribution is strongly dependent on bulk concentration. We show that this is due to the strong binding constant of hydronium H3O+ to the phosphate group, leading to proton-transfer back to the phosphate group and to a reduced surface charge. The increase of Cs+ concentration modifies the contact value potential, thereby causing proton release. This process effectively modifies surface charge density and enables exploration of ion distributions as a function of effective surface charge-density. The experimentally obtained ion distributions are compared to distributions calculated by Poisson-Boltzmann theory accounting for the variation of surface charge density due to proton release and binding. We also discuss the accuracy of our experimental results in discriminating possible deviations from Poisson-Boltzmann theory.

  18. Charge density analysis of two proton transfer complexes: Understanding hydrogen bonding and determination of in-crystal dipole moments

    Indian Academy of Sciences (India)

    Reji Thomas; Shrinwantu Pal; Ayan Datta; Mariusz K Marchewka; Henryk Ratajczak; Swapan K Pati; G U Kulkarni

    2008-11-01

    An experimental charge density study has been carried out on proton-transfer complexes exhibiting nonlinear optical (NLO) properties-melaminium tartrate monohydrate and L-asparaginium picrate employing high-resolution X-ray diffraction at 100 K. Both the complexes crystallize in non-centric space group P21 and the structures exhibit interesting patterns of N-H…O and O-H…O hydrogen bonding. Experimental determination of the dipole moment () for the asymmetric unit reveals that for both the crystals, there is a large cooperative enhancement in the crystalline arising essentially due to hydrogen bond mediated charge transfer between the melaminium ion and the L-tartrate in one case, between the Lasparaginium ion and the picrate in the other complex. We have additionally performed theoretical calculations at the density functional theory (DFT) level to understand the origin of enhancement of the dipole moments in the two systems.

  19. Electrostatic force density for a scanned probe above a charged surface

    Energy Technology Data Exchange (ETDEWEB)

    Passian, A.; Wig, A.; Meriaudeau, F.; Buncick, M.; Thundat, T.; Ferrell, T. L.

    2001-07-15

    The Coulomb interaction of a dielectric probe tip with a uniform field existing above a semi-infinite, homogeneous dielectric substrate is studied. The induced polarization surface charge density and the field distribution at the bounding surface of the dielectric medium with the geometry of half of a two sheeted hyperboloid of revolution located above the dielectric half space interfaced with a uniform surface charge density is calculated. The force density on the hyperboloidal probe medium is calculated as a function of the probe tip shape. The calculation is based on solving Laplace's equation and employing a newly derived integral expansion for the vanishing dielectric limit of the potential. The involved numerical simulations comprise the evaluation of infinite double integrals involving conical functions.

  20. Electrostatic force density for a scanned probe above a charged surface

    Science.gov (United States)

    Passian, A.; Wig, A.; Meriaudeau, F.; Buncick, M.; Thundat, T.; Ferrell, T. L.

    2001-07-01

    The Coulomb interaction of a dielectric probe tip with a uniform field existing above a semi-infinite, homogeneous dielectric substrate is studied. The induced polarization surface charge density and the field distribution at the bounding surface of the dielectric medium with the geometry of half of a two sheeted hyperboloid of revolution located above the dielectric half space interfaced with a uniform surface charge density is calculated. The force density on the hyperboloidal probe medium is calculated as a function of the probe tip shape. The calculation is based on solving Laplace's equation and employing a newly derived integral expansion for the vanishing dielectric limit of the potential. The involved numerical simulations comprise the evaluation of infinite double integrals involving conical functions.

  1. Double charge exchange at high impact energies

    Science.gov (United States)

    Belkić, Dževad

    1994-03-01

    In fast ion-atom collisions, double ionization always dominates the two-electron transfer. For this reason, an adequate description of double charge exchange requires proper inclusion of intermediate ionization channels. This is even more important in two- than in one-electron transitions. First-order Born-type perturbation theories ignore throughout these electronic continuum intermediate states and hence provide utterly unreliable high energy cross sections for two-electron capture processes. Therefore, it is essential to use second- and higher-order theories, which include the intermediate ionization continua of the two electrons in an approximate manner. In the present paper, a new second-order theory called the Born distorted wave (BDW) approximation is introduced and implemented in the case of symmetric resonant double electron capture from the ground state of helium by fast alpha particles. A genuine four-body formalism is adopted, in contrast to the conventional independent particle model of atomic scattering theory. The obtained results for the total cross sections are compared with the available experimental data, and satisfactory agreement is recorded. As the incident energy increases, a dramatic improvement is obtained in going from the CB1 to the BDW approximation, since the latter closely follows the measurement, whereas the former overestimates the observed total cross sections by two orders of magnitude. This strongly indicates that the role of continuum intermediate states is decisive, even at those incident energies for which the Thomas double scattering effects are not important. This is in sharp contrast to the case of one-electron transfer atomic reactions.

  2. Charge exchange and energy loss of slow highly charged ions in 1 nm thick carbon nanomembranes.

    Science.gov (United States)

    Wilhelm, Richard A; Gruber, Elisabeth; Ritter, Robert; Heller, René; Facsko, Stefan; Aumayr, Friedrich

    2014-04-18

    Experimental charge exchange and energy loss data for the transmission of slow highly charged Xe ions through ultrathin polymeric carbon membranes are presented. Surprisingly, two distinct exit charge state distributions accompanied by charge exchange dependent energy losses are observed. The energy loss for ions exhibiting large charge loss shows a quadratic dependency on the incident charge state indicating that equilibrium stopping force values do not apply in this case. Additional angle resolved transmission measurements point on a significant contribution of elastic energy loss. The observations show that regimes of different impact parameters can be separated and thus a particle's energy deposition in an ultrathin solid target may not be described in terms of an averaged energy loss per unit length.

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

    Science.gov (United States)

    Chang, J.; Blackburn, E.; Ivashko, O.; Holmes, A. T.; Christensen, N. B.; Hücker, M.; Liang, Ruixing; Bonn, D. A.; Hardy, W. N.; Rütt, U.; Zimmermann, M. V.; Forgan, E. M.; Hayden, S. M.

    2016-05-01

    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 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 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 of individual bilayers is broken by the CDW at low and high fields, allowing Fermi surface reconstruction, as recently suggested.

  4. Immobilization of bilirubin oxidase on graphene oxide flakes with different negative charge density for oxygen reduction. The effect of GO charge density on enzyme coverage, electron transfer rate and current density.

    Science.gov (United States)

    Filip, Jaroslav; Andicsová-Eckstein, Anita; Vikartovská, Alica; Tkac, Jan

    2017-03-15

    Previously we showed that an effective bilirubin oxidase (BOD)-based biocathode using graphene oxide (GO) could be prepared in 2 steps: 1. electrostatic adsorption of BOD on GO; 2. electrochemical reduction of the BOD-GO composite to form a BOD-ErGO (electrochemically reduced GO) film on the electrode. In order to identify an optimal charge density of GO for BOD-ErGO composite preparation, several GO fractions differing in an average flake size and ζ-potential were prepared using centrifugation and consequently employed for BOD-ErGO biocathode preparation. A simple way to express surface charge density of these particular GO nanosheets was developed. The values obtained were then correlated with biocatalytic and electrochemical parameters of the prepared biocathodes, i.e. electrocatalytically active BOD surface coverage (Γ), heterogeneous electron transfer rate (kS) and a maximum biocatalytic current density. The highest bioelectrocatalytic current density of (597±25)μAcm(-2) and the highest Γ of (23.6±0.9)pmolcm(-2) were obtained on BOD-GO composite having the same moderate negative charge density, but the highest kS of (79.4±4.6)s(-1) was observed on BOD-GO composite having different negative charge density. This study is a solid foundation for others to consider the influence of a charge density of GO on direct bioelectrochemistry/bioelectrocatalysis of other redox enzymes applicable for construction of biosensors, bioanodes, biocathodes or biofuel cells. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Investigation of surface charge density on solid-liquid interfaces by modulating the electrical double layer.

    Science.gov (United States)

    Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu

    2015-05-20

    A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid-liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid-liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid-liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid-liquid interfaces.

  6. Relationships between atmospheric positive electric charge densities and gas bubble concentrations in the Baltic Sea

    Directory of Open Access Journals (Sweden)

    Zygmunt Klusek

    2004-12-01

    Full Text Available Simultaneous measurements of bubble density in the sea subsurface and positive ions in the lower atmosphere were performed in the Baltic Sea in the summer of 1999. Bubbles in two size ranges, around 27 and 100 µm, were measured acoustically. Airborne positive charge was measured with a Gerdien instrument. Observed concentrations of air ions varied from 60 cm-3 up to 600 cm-3.      The relative role of bubbles and wind speed on the positive air ion concentrations over the brackish water of the Baltic Sea is discussed. The parameters of a model of a log-log dependence between charge concentration and bubble density are calculated.      The correlation functions between time series of concentrations of positive charges over the sea and gas bubbles averaged over a depth range from 0.4 to 4 m and wind speed are presented. There was zero lag between the cross-correlation maxima of charge and bubbles, but there was a phase lag of one and a half hours between charge and wind speed.

  7. Fractional-charge and fractional-spin errors in range-separated density-functional theory

    CERN Document Server

    Mussard, Bastien

    2016-01-01

    We investigate fractional-charge and fractional-spin errors in range-separated density-functional theory. Specifically, we consider the range-separated hybrid (RSH) method which combines long-range Hartree-Fock (HF) exchange with a short-range semilocal exchange-correlation density functional, and the RSH+MP2 method which adds long-range second-order M{{\\o}}ller-Plesset (MP2) correlation. Results on atoms and molecules show that the fractional-charge errors obtained in RSH are much smaller than in the standard Kohn-Sham (KS) scheme applied with semilocal or hybrid approximations, and also generally smaller than in the standard HF method. The RSH+MP2 method tends to have smaller fractional-charge errors than standard MP2 for the most diffuse systems, but larger fractional-charge errors for the more compact systems. Even though the individual contributions to the fractional-spin errors in the H atom coming from the short-range exchange and correlation density-functional approximations are smaller than the corre...

  8. Strongly Interacting Matter at High Energy Density

    Energy Technology Data Exchange (ETDEWEB)

    McLerran,L.

    2008-09-07

    This lecture concerns the properties of strongly interacting matter (which is described by Quantum Chromodynamics) at very high energy density. I review the properties of matter at high temperature, discussing the deconfinement phase transition. At high baryon density and low temperature, large N{sub c} arguments are developed which suggest that high baryonic density matter is a third form of matter, Quarkyonic Matter, that is distinct from confined hadronic matter and deconfined matter. I finally discuss the Color Glass Condensate which controls the high energy limit of QCD, and forms the low x part of a hadron wavefunction. The Glasma is introduced as matter formed by the Color Glass Condensate which eventually thermalizes into a Quark Gluon Plasma.

  9. 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

  10. 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...... of the membrane. These two methods give results in fair accordance which probes that the sometimes controversial method of DSPM-DE can give accurate results for the charge as well as for the mean pore size of a nanofiltration membrane. Sonic clues to improve the way this model can be used are given as well....

  11. The generalization of charged AdS black hole specific volume and number density

    Science.gov (United States)

    Wang, Zi-Liang; He, Miao; Fang, Chao; Sun, Dao-Quan; Deng, Jian-Bo

    2017-04-01

    In this paper, by proposing a generalized specific volume, we restudy the P- V criticality of charged AdS black holes in the extended phase space. The results show that most of the previous conclusions can be generalized without change, but the ratio {\\tilde{ρ }}_c should be 3 {\\tilde{α }}/16 in general case. Further research on the thermodynamical phase transition of black hole leads us to a natural interpretation of our assumption, and more black hole properties can be generalized. Finally, we study the number density for charged AdS black hole in higher dimensions, the results show the necessity of our assumption.

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

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    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 models of electrolyte solution. Here, we provide 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 and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion 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 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.

  13. Static and Dynamical Valence-Charge-Density Properties of GaAs

    Science.gov (United States)

    Pietsch, Ullrich

    1993-02-01

    Owing to the close neighbourhood of Ga and As in Mendeleev's table, GaAs shows two fundamental classes of X-ray structure amplitudes distinguished by their extremely different scattering power. They are differently sensitive to the valence electron density (VED) redistribution caused by the chemical bond and must be measured by different experimental methods. Using such data, both the VED and the difference electron densities (DED) are calculated here. Comparison with theoret-ical densities shows that the VED is characterized by covalent, ionic and metallic contributions. The DED constructed from GaAs and Ge data demonstrates the electronic response caused by a "protonic" charge transfer between both f.c.c. sublattices as well as the transition from a purely covalent to a mixed covalent-ionic bond. Especially the charge-density accumulation between nearest neighbours (bond charge (BC)) depends on the distance between the bonding atoms and changes under the influence of any lattice deformation. This phenomenon is described by a BC-transfer model. Its direct experimental proof is given by measuring the variation of the scattering power of weak reflections under the influence of an external electric field. This experiment demonstrates that the ionicity of the bond changes in addition to the BC variation.

  14. Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach

    Directory of Open Access Journals (Sweden)

    Karuppannan Selvaraju

    2015-01-01

    Full Text Available The present study has been performed to understand the charge density distribution and the electrical characteristics of Au and thiol substituted tetrathiafulvalene (TTF based molecular nanowire. A quantum chemical calculation has been carried out using DFT method (B3LYP with the LANL2DZ basis set under various applied electric fields (EFs. The bond topological analysis characterizes the terminal Au–S and S–C bonds as well as all the bonds of central TTF unit of the molecule. The variation of electron density and Laplacian of electron density at the bond critical point of bonds for zero and different applied fields reveal the electron density distribution of the molecule. The molecular conformation, the variation of atomic charges and energy density distribution of the molecule have been analyzed for the various levels of applied EFs. The HOMO-LUMO gap calculated from quantum chemical calculations has been compared with the value calculated from the density of states. The variation of dipole moment due to the polarization effect and the I-V characteristics of the molecule for the various applied EFs have been well discussed.

  15. Mean field theory of charge-density wave state in magnetic field

    Science.gov (United States)

    Grigoriev, Pavel; Lyubshin, Dmitrij

    2005-03-01

    We develop a mean field theory of charge-density wave (CDW) state in magnetic field and study properties of this state below the transition temperature. We show that the CDW state with shifted wave vector in high magnetic field (CDWx phase) has a double harmonic modulation on the most part of the phase diagram. At perfect nesting the single harmonic CDW state with shifted wave vector exists only in a very narrow region near the triple point. We show that the transition from CDW0 to CDWx state below the critical temperature is accompanied by a jump of the CDW order parameter and of the CDW wave vector rather than by their continuous increase. This implies a first order transition between these CDW states and explains a strong hysteresis accompanying this transition. The similarities between CDW in high magnetic field and nonuniform LOFF superconducting phase are pointed out. Our investigation provides a theoretical description for recent experiments on organic metal α-(BEDT-TTF)2KHg(SCN)4 and other compounds. In particular, we explain the higher value of the kink transition field and provide the calculation of the phase diagram in the case of perfect nesting.

  16. Magnon-phonon coupling and implications for charge-density wave states and superconductivity in cuprates

    Science.gov (United States)

    Struzhkin, Viktor V.; Chen, Xiao-Jia

    2016-10-01

    The mechanism of high-temperature superconductivity of copper oxides (cuprates) remains unsolved puzzle in condensed matter physics. The cuprates represent extremely complicated system, showing fascinating variety of quantum phenomena and rich phase diagram as a function of doping. In the suggested "superconducting glue" mechanisms, phonon and spin excitations are invoked most frequently, and it appears that only spin excitations cover the energy scale required to justify very high transition temperature Tc ˜ 165 K (as in mercury-based triple layer cuprates compressed to 30 GPa). It appears that pressure is quite important variable helping to boost the Tc record by almost 30°. Pressure may be also considered as a clean tuning parameter, helping to understand the underlying balance of various energy scales and ordered states in cuprates. In this paper, a review of mostly our work on cuprates under pressure will be given, with the emphasis on the interactions between phonon and spin excitations. It appears that there is a strong coupling between superexchange interaction and stretching in-plane oxygen vibrations, which may give rise to a variety of complex phenomena, including the charge-density wave state intertwined with superconductivity and attracting a lot of interest recently.

  17. Spin polarization in high density quark matter

    DEFF Research Database (Denmark)

    Bohr, Henrik; Panda, Prafulla K.; Providênci, Constanca

    2013-01-01

    We investigate the occurrence of a ferromagnetic phase transition in high density hadronic matter (e.g., in the interior of a neutron star). This could be induced by a four-fermion interaction analogous to the one which is responsible for chiral symmetry breaking in the Nambu-Jona-Lasinio model......, to which it is related through a Fierz transformation. Flavor SU(2) and flavor SU(3) quark matter are considered. A second-order phase transition is predicted at densities about 5 times the normal nuclear matter density. It is also found that in flavor SU(3) quark matter, a first-order transition from...

  18. Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.

    Science.gov (United States)

    Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian

    2014-04-01

    The experimental charge-density distribution in 2-methyl-1,3-cyclopentanedione in the crystal state was analyzed by synchrotron X-ray diffraction data collection at 0.33 Å resolution. The molecule in the crystal is in the enol form. The experimental electron density was refined using the Hansen-Coppens multipolar model and an alternative modeling, based on spherical atoms and additional charges on the covalent bonds and electron lone-pair sites. The crystallographic refinements, charge-density distributions, molecular electrostatic potentials, dipole moments and intermolecular interaction energies obtained from the different charge-density models were compared. The experimental results are also compared with the theoretical charge densities using theoretical structure factors obtained from periodic quantum calculations at the B3LYP/6-31G** level. A strong intermolecular O-H···O hydrogen bond connects molecules along the [001] direction. The deformation density maps show the resonance within the O=C-C=C-OH fragment and merged lone pair lobes on the hydroxyl O atom. This resonance is further confirmed by the analysis of charges and topology of the electron density.

  19. Rf Gun with High-Current Density Field Emission Cathode

    Energy Technology Data Exchange (ETDEWEB)

    Jay L. Hirshfield

    2005-12-19

    High current-density field emission from an array of carbon nanotubes, with field-emission-transistor control, and with secondary electron channel multiplication in a ceramic facing structure, have been combined in a cold cathode for rf guns and diode guns. Electrodynamic and space-charge flow simulations were conducted to specify the cathode configuration and range of emission current density from the field emission cold cathode. Design of this cathode has been made for installation and testing in an existing S-band 2-1/2 cell rf gun. With emission control and modulation, and with current density in the range of 0.1-1 kA/cm2, this cathode could provide performance and long-life not enjoyed by other currently-available cathodes

  20. Photons shedding light on electron capture by highly charged ions

    NARCIS (Netherlands)

    Hoekstra, Romke Anne

    1990-01-01

    In this thesis charge transfer is studied in collisions of highly charged ions (Aq+) with neutral particles (B). Because the electron is captured resonantly (i.e. without its binding energy) by the ion, a limited number of highly excited states (characterized by the quantum numbers nlm) is preferent

  1. Photons shedding light on electron capture by highly charged ions

    NARCIS (Netherlands)

    Hoekstra, Romke Anne

    1990-01-01

    In this thesis charge transfer is studied in collisions of highly charged ions (Aq+) with neutral particles (B). Because the electron is captured resonantly (i.e. without its binding energy) by the ion, a limited number of highly excited states (characterized by the quantum numbers nlm) is

  2. The high density Z-pinch

    Energy Technology Data Exchange (ETDEWEB)

    McCall, G.H.

    1988-01-01

    During the past few years techniques have been developed for producing pinches in solid deuterium. The conditions which exist in these plasmas are quiet different from those produced earlier. The pinch is formed from a fiber of solid deuterium rather than from a low density gas, and the current is driven by a low impedance, high voltage pulse generator. Because of the high initial density, it is not necessary to compress the pinch to reach thermonuclear conditions, and the confinement time required for energy production is much shorter than for a gas. The experimental results, which have been verified by experiments performed at higher current were quite surprising and encouraging. The pinch appeared to be stable for a time much longer than the Alfven radial transit time. In this paper, however, I argue that the pinch is not strictly stable, but it does not appear to disassemble in a catastrophic fashion. It appears that there may be a distinction between stability and confinement in the high density pinch. In the discussion below I will present the status of the high density Z-pinch experiments at laboratories around the world, and I will describe some of the calculational and experimental results. I will confine my remarks to recent work on the high density pinch. 17 refs. 10 figs.

  3. 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.

    2009-01-01

    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. Vary

  4. Approximation of charge-deposition density in thin slabs irradiated by electrons

    CERN Document Server

    Alouani-Bibi, F; Rogov, Y V; Tabata, T

    2000-01-01

    Charge-deposition distributions in thin slabs irradiated by plane-parallel electron beams are studied. The slabs considered are made of elements with atomic numbers ranging from 4 to 79. The slab thicknesses are from 0.5 to 50 mg/cm sup 2 , and the electron beam energies are from 1 to 10 MeV. Using a new Monte Carlo method (called the trajectory translation method), data on the charge-deposition density have been obtained. Theoretical analysis of these data has been performed. Based on this analysis, a semiempirical model that describes charge-deposition distributions in thin slabs has been developed. The results obtained by the semiempirical model have been compared with those obtained by the PENELOPE Monte Carlo code and show moderate agreement.

  5. Density functional theory calculations of charge transport properties of ‘plate-like’ coronene topological structures

    Indian Academy of Sciences (India)

    ZIRAN CHEN; ZHANRONG HE; YOUHUI XU; WENHAO YU

    2017-09-01

    Charge transport rate is one of the key parameters determining the performance of organic electronic devices. 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 of the conjugate ring has a large influence on the charge transport properties. Incorporation of methyl groupson the rigid core of tetrabenzocoronene and hexabenzocoronene is more conducive to the hole transport of the molecule than incorporating methoxyl groups. The derivatisation of a ‘long plate-like’ coronene with methoxylgroups facilitates both hole and electron transport. This class of molecules can thus be used in the design of ambipolar transport semiconductor materials.

  6. Local distortion in Co-doped LSMO from entropy-maximized charge density distribution

    Energy Technology Data Exchange (ETDEWEB)

    Syed Ali, K.S. [Department of Physics, The Madura College, Madurai 625011 (India); Saravanan, R., E-mail: saragow@dataone.i [Department of Physics, The Madura College, Madurai 625011 (India); Pashchenko, A.V.; Pashchenko, V.P. [Galkin Donetsk Institute of Physics and Technology, National Academy of Sciences of Ukraine, Donetsk 83114 (Ukraine)

    2010-07-09

    Perovskite structure manganites La{sub 0.67}Sr{sub 0.22}Mn{sub 1.11-x}Co{sub x}O{sub 3} were prepared by the solid state reaction method. An X-ray analysis of the structure was undertaken using the Rietveld technique on the experimental powder X-ray diffraction data and, then, a charge density distribution study was undertaken, using the maximum entropy method (MEM). The charge density in the unit cell was reconstructed and the effect of Co{sup 3+} doping in the Mn-O matrix was studied. Local distortions due to Co doping were analyzed and the results are now discussed.

  7. Bond length and charge density variations within extended arm chair defects in graphene.

    Science.gov (United States)

    Warner, Jamie H; Lee, Gun-Do; He, Kuang; Robertson, Alex W; Yoon, Euijoon; Kirkland, Angus I

    2013-11-26

    Extended linear arm chair defects are intentionally fabricated in suspended monolayer graphene using controlled focused electron beam irradiation. The atomic structure is accurately determined using aberration-corrected transmission electron microscopy with monochromation of the electron source to achieve ∼80 pm spatial resolution at an accelerating voltage of 80 kV. We show that the introduction of atomic vacancies in graphene disrupts the uniformity of C-C bond lengths immediately surrounding linear arm chair defects in graphene. The measured changes in C-C bond lengths are related to density functional theory (DFT) calculations of charge density variation and corresponding DFT calculated structural models. We show good correlation between the DFT predicted localized charge depletion and structural models with HRTEM measured bond elongation within the carbon tetragon structure of graphene. Further evidence of bond elongation within graphene defects is obtained from imaging a pair of 5-8-5 divacancies.

  8. Charged Multiplicity Density and Number of Participant Nucleons in Relativistic Nuclear Collisions

    Institute of Scientific and Technical Information of China (English)

    SA Ben-Hao; CAI Xu; ZHOU Dai-Mei

    2003-01-01

    The energy and centrality dependencies of charged particle pseudorapidity density in relativistic nuclearcollisions were studied using a hadron and string cascade model, JPCIAE. Both the relativistic p+p experimental dataand the PHOBOS and PHENIX Au+Au data at RHIC energy could be fairly reproduced within the framework ofJPCIAE model and without retuning the model parameters. The predictions for Pb + Pb collisions at the LHC energywere also given. We computed the participant nucleon distributions using different methods. It was found that thenumber of participant nucleons is not a well defined variable both experimentally and theoretically. Thus it may beinappropriate to use the charged particle pseudorapidity density per participant pair .as a function of the number ofparticipant nucleons for distinguishing various theoretical models.

  9. Generation of localized magnetic moments in the charge-density-wave state

    Science.gov (United States)

    Akzyanov, Ramil S.; Rozhkov, Alexander V.

    2015-08-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T = 0 is mapped. To establish the connection with experiment, the thermodynamic properties of a random impurity ensemble is studied. Magnetic susceptibility of the ensemble diverges at low temperature; heat capacity as a function of the magnetic field demonstrates pronounced low field peak. Both features are consistent with experiments on orthorhombic TaS3 and blue bronze.

  10. Measurements of Ionospheric Density, Temperature, and Spacecraft Charging in a Space Weather Constellation

    Science.gov (United States)

    Balthazor, R. L.; McHarg, M. G.; Wilson, G.

    2016-12-01

    The Integrated Miniaturized Electrostatic Analyzer (IMESA) is a space weather sensor developed by the United States Air Force Academy and integrated and flown by the DoD's Space Test Program. IMESA records plasma spectrograms from which can be derived plasma density, temperature, and spacecraft frame charging. Results from IMESA currently orbiting on STPSat-3 are presented, showing frame charging effects dependent on a complex function of the number of solar panel cell strings switched in, solar panel current, and plasma density. IMESA will fly on four more satellites launching in the next two calendar years, enabling an undergraduate DoD space weather constellation in Low Earth Orbit that has the ability to significantly improve space weather forecasting capabilities using assimilative forecast models.

  11. Semilocal and Hybrid Density Embedding Calculations of Ground-State Charge-Transfer Complexes

    CERN Document Server

    Laricchia, S; Della Sala, F; 10.1063/1.4795825

    2013-01-01

    We apply the frozen density embedding method, using a full relaxation of embedded densities through a freeze-and-thaw procedure, to study the electronic structure of several benchmark ground-state charge-transfer complexes, in order to assess the merits and limitations of the approach for this class of systems. The calculations are performed using both semilocal and hybrid exchange-correlation (XC) functionals. The results show that embedding calculations using semilocal XC functionals yield rather large deviations with respect to the corresponding supermolecular calculations. Due to a large error cancellation effect, however, they can often provide a relatively good description of the electronic structure of charge-transfer complexes, in contrast to supermolecular calculations performed at the same level of theory. On the contrary, when hybrid XC functionals are employed, both embedding and supermolecular calculations agree very well with each other and with the reference benchmark results. In conclusion, fo...

  12. Exploring effective interactions through transition charge density study of 70,72,74,76Ge nuclei

    Indian Academy of Sciences (India)

    A Shukla; P K Raina; P K Rath

    2005-02-01

    Transition charge densities (TCD) for $0^{+} → 2_{1}^{+}$ excitation have been calculated for 70, 72, 74, 76Ge nuclei within microscopic variational framework employing 23/2, 15/2, 21/2 and 19/2 valence space. The calculated TCDs for different monopole variants of Kuo interaction are compared with available experimental results. Other systematics like reduced transition probabilities (2) and static quadrupole moments (2) are also presented. It is observed that the transition density study acts as a sensitive probe for discriminating the response of different parts of effective interactions.

  13. Predicting Chemical Reactivity from the Charge Density through Gradient Bundle Analysis: Moving beyond Fukui Functions.

    Science.gov (United States)

    Morgenstern, Amanda; Wilson, Timothy R; Eberhart, M E

    2017-06-08

    Predicting chemical reactivity is a major goal of chemistry. Toward this end, atom condensed Fukui functions of conceptual density functional theory have been used to predict which atom is most likely to undergo electrophilic or nucleophilic attack, providing regioselectivity information. We show that the most probable regions for electrophilic attack within each atom can be predicted through analysis of gradient bundle volumes, a property that depends only on the charge density of the neutral molecules. We also introduce gradient bundle condensed Fukui functions to compare the stereoselectivity information obtained from gradient bundle volume analysis. We demonstrate this method using the test set of molecular fluorine, oxygen, nitrogen, carbon monoxide, and hydrogen cyanide.

  14. Tuning the charge density wave and superconductivity in CuxTaS2

    NARCIS (Netherlands)

    Wagner, K.E.; Morosan, E.; Hor, Y.S.; Tao, J.; Zhu, Y.; Sanders, T.; McQueen, T.M.; Zandbergen, H.W.; Williams, A.J.; West, D.V.; Cava, R.J.

    2008-01-01

    We report the characterization of layered 2H-type CuxTaS2 for 0≤x≤0.12. The charge density wave (CDW), at 70 K for TaS2, is destabilized with Cu doping. The sub-1 K superconducting transition in undoped 2H-TaS2 jumps quickly to 2.5 K at low x, increases to 4.5 K at the optimal composition Cu0.04TaS2

  15. Field-Induced Dynamic Diamagnetism in a Charge-Density-Wave System

    Science.gov (United States)

    Harrison, N.; Mielke, C. H.; Christianson, A. D.; Brooks, J. S.; Tokumoto, M.

    2001-02-01

    ac susceptibility measurements of the charge-density-wave (CDW) compound α-\\(BEDT-TTF\\)2-KHg\\(SCN\\)4 at magnetic fields, μ0H>23 T, above its Pauli paramagnetic limit, reveal unambiguously that the magnetic hysteresis observed previously within this CDW phase is diamagnetic and can only be explained by induced currents. It is argued that the ensemble of experimental techniques amounts to a strong case for dissipationless conductivity within this phase.

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

    Energy Technology Data Exchange (ETDEWEB)

    Aubin, C. [Department of Physics, Washington University, St. Louis, MO 63130 (United States); Bernard, C. [Department of Physics, Washington University, St. Louis, MO 63130 (United States); Gottlieb, Steven [Department of Physics, Indiana Univerity, Bloomington, IN 47405 (United States); Gregory, E.B. [Department of Physics, University of Arizona, Tucson, AZ 85721 (United States); Heller, Urs M. [American Physical Society, One Research Road, Box 9000, Ridge, NY 11961 (United States); Hetrick, J.E. [Physics Department, University of the Pacific, Stockton, CA 95211 (United States); Osborn, J.; Sugar, R. [Department of Physics, University of California, Santa Barbara, CA 93106 (United States); Forcrand, Ph. de [Institute for Theoretical Physics, ETH Zuerich, CH-8093 Zurich (Switzerland); CERN, Theory Division, CH-1211 Geneva 23 (Switzerland); Jahn, O. [Center for Theoretical Physics, MIT, Cambridge, MA 02139 (United States)

    2005-03-15

    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.

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

    CSIR Research Space (South Africa)

    Roux, FS

    2010-01-01

    Full Text Available is described by a diffusion process that has a diffusion parameter which depends on the propagation distance. Keywords: optical vortex, singular optics, stochastic optical field, topological charge density, diffusion equation 1. Introduction The spatial... [1, 2], which measures the continuous phase distortions and then removes them with a continuous deformable mirror. The problem with this approach comes in with strong scintillation, when the phase distortions are severe enough to give rise...

  18. High Density Metamaterials for Visible Light

    Science.gov (United States)

    2016-11-28

    Split Ring Resonator Metamaterials with Fundamental Magnetic Resonance in the Middle Visible Spectrum,” Adv. Opt. Mater., vol. 2, no. 3, pp. 280–285...AFRL-AFOSR-JP-TR-2016-0097 High density metamaterials for visible light Dao Hua Zhang NANYANG TECHNOLOGICAL UNIVERSITY Final Report 11/28/2016...COVERED (From - To)  16 Jul 2014 to 15 Jul 2016 4. TITLE AND SUBTITLE High density metamaterials for visible light 5a.  CONTRACT NUMBER 5b.  GRANT

  19. A quarksonic matter at high isospin density

    CERN Document Server

    Cao, Gaoqing; Huang, Xu-Guang

    2016-01-01

    Analogous to the quarkyonic matter at high baryon density in which the quark Fermi seas and the baryonic excitations coexist, it is argued that a "quarksonic matter" phase appears at high isospin density where the quark (antiquark) Fermi seas and the mesonic excitations coexist. We explore this phase in detail in both large $N_c$ and asymptotically free limits: In large $N_c$ limit, we sketch a phase diagram for the quarksonic matter. In the asymptotically free limit, we study the pion superfluidity and thermodynamics of the quarksonic matter by using both perturbative calculations and effective model.

  20. Novel charge density wave transition in crystals of R5Ir4Si10

    Indian Academy of Sciences (India)

    S Ramakrishnan

    2002-05-01

    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 crystal of Er5Ir4Si10, one observes the development of a 1D-incommensurate CDW at 155 K, which then locks into a purely commensurate state below 55 K. The well-localized Er3 moments are antiferromagnetically ordered below 2.8 K which results in the coexistence of strongly coupled CDW with local moment antiferromagnetism in Er5Ir4Si10. Unlike conventional CDW systems, extremely sharp transition (width ∼ 1.5 K) in all bulk properties along with huge heat capacity anomalies in these compounds makes this CDW transition an interesting one.

  1. Thickness dependent charge transfer states and dark carriers density in vacuum deposited small molecule organic photocell

    Science.gov (United States)

    Shekhar, Himanshu; Tzabari, Lior; Solomeshch, Olga; Tessler, Nir

    2016-10-01

    We have investigated the influence of the active layer thickness on the balance of the internal mechanisms affecting the efficiency of copper phthalocyanine - fullerene (C60) based vacuum deposited bulk heterojunction organic photocell. We fabricated a range of devices for which we varied the thickness of the active layer from 40 to 120 nm and assessed their performance using optical and electrical characterization techniques. As reported previously for phthalocyanine:C60, the performance of the device is highly dependent on the active layer thickness and of all the thicknesses we tried, the 40 nm thin active layer device showed the best solar cell characteristic parameters. Using the transfer matrix based optical model, which includes interference effects, we calculated the optical power absorbed in the active layers for the entire absorption band, and we found that this cannot explain the trend with thickness. Measurement of the cell quantum efficiency as a function of light intensity showed that the relative weight of the device internal processes changes when going from 40 nm to 120 nm thick active layer. Electrical modeling of the device, which takes different internal processes into account, allowed to quantify the changes in the processes affecting the generation - recombination balance. Sub gap external quantum efficiency and morphological analysis of the surface of the films agree with the model's result. We found that as the thickness grows the density of charge transfer states and of dark carriers goes up and the uniformity in the vertical direction is reduced.

  2. Time-domain pumping a quantum-critical charge density wave ordered material

    Science.gov (United States)

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2016-09-01

    We determine the exact time-resolved photoemission spectroscopy for a nesting driven charge density wave (described by the spinless Falicov-Kimball model within dynamical mean-field theory). The pump-probe experiment involves two light pulses: the first is an ultrashort intense pump pulse that excites the system into nonequilibrium, and the second is a lower amplitude, higher frequency probe pulse that photoexcites electrons. We examine three different cases: the strongly correlated metal, the quantum-critical charge density wave, and the critical Mott insulator. Our results show that the quantum critical charge density wave has an ultraefficient relaxation channel that allows electrons to be de-excited during the pump pulse, resulting in little net excitation. In contrast, the metal and the Mott insulator show excitations that are closer to what one expects from these systems. In addition, the pump field produces spectral band narrowing, peak sharpening, and a spectral gap reduction, all of which rapidly return to their field free values after the pump is over.

  3. Near Gap Excitation of Collective Modes in a Charge Density Wave

    Science.gov (United States)

    Leuenberger, Dominik; Sobota, Jonathan; Yang, Shuolong; Kemper, Alexander; Giraldo, Paula; Moore, Rob; Fisher, Ian; Kirchmann, Patrick; Devereaux, Thomas; Shen, Zhi-Xun

    2015-03-01

    We present time- and angle-resolved photoemission spectroscopy (trARPES) measurements on the charge density wave system's (CDW) CeTe3. Optical excitation transiently populates the unoccupied band structure and reveals a CDW gap size of 2 Δ = 0 . 59 eV. In addition, the occupied Te- 5 p band dispersion is coherently modified by three collective modes. First, the spatial polarization of the modes is analyzed by fits of a transient model dispersion and DFT frozen phonon calculations. We thereby demonstrate how the rich information from trARPES allows identification of collective modes and their spatial polarization, which explains the mode-dependent coupling to charge order. Second, the exciting photon energy hν was gradually lowered towards 2 Δ , at constant optical excitation density. The coherent response of the amplitude mode deviates from the optical conductivity, which is dominated by direct interband transitions between the lower and upper CDW bands. The measured hν -dependence can be reproduced by a calculated joint density of states for optical transition between bands with different orbital character. This finding suggests, that the coherent response of the CDW amplitude mode is dominated by photo-doping of the charge ordering located in the Te-planes.

  4. 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.

  5. A high energy density relaxor antiferroelectric pulsed capacitor dielectric

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Hwan Ryul; Lynch, Christopher S. [Department of Mechanical and Aerospace Engineering, University of California, Los Angeles (UCLA), Los Angeles, California 90095 (United States)

    2016-01-14

    Pulsed capacitors require high energy density and low loss, properties that can be realized through selection of composition. Ceramic (Pb{sub 0.88}La{sub 0.08})(Zr{sub 0.91}Ti{sub 0.09})O{sub 3} was found to be an ideal candidate. La{sup 3+} doping and excess PbO were used to produce relaxor antiferroelectric behavior with slim and slanted hysteresis loops to reduce the dielectric hysteresis loss, to increase the dielectric strength, and to increase the discharge energy density. The discharge energy density of this composition was found to be 3.04 J/cm{sup 3} with applied electric field of 170 kV/cm, and the energy efficiency, defined as the ratio of the discharge energy density to the charging energy density, was 0.920. This high efficiency reduces the heat generated under cyclic loading and improves the reliability. The properties were observed to degrade some with temperature increase above 80 °C. Repeated electric field cycles up to 10 000 cycles were applied to the specimen with no observed performance degradation.

  6. High energy density in multisoliton collisions

    Science.gov (United States)

    Saadatmand, Danial; Dmitriev, Sergey V.; Kevrekidis, Panayotis G.

    2015-09-01

    Solitons are very effective in transporting energy over great distances and collisions between them can produce high energy density spots of relevance to phase transformations, energy localization and defect formation among others. It is then important to study how energy density accumulation scales in multisoliton collisions. In this study, we demonstrate that the maximal energy density that can be achieved in collision of N slowly moving kinks and antikinks in the integrable sine-Gordon field, remarkably, is proportional to N2, while the total energy of the system is proportional to N . This maximal energy density can be achieved only if the difference between the number of colliding kinks and antikinks is minimal, i.e., is equal to 0 for even N and 1 for odd N and if the pattern involves an alternating array of kinks and antikinks. Interestingly, for odd (even) N the maximal energy density appears in the form of potential (kinetic) energy, while kinetic (potential) energy is equal to zero. The results of the present study rely on the analysis of the exact multisoliton solutions for N =1 ,2 , and 3 and on the numerical simulation results for N =4 ,5 ,6 , and 7. The effect of weak Hamiltonian and non-Hamiltonian perturbations on the maximal energy density in multikink collisions is also discussed as well as that of the collision relative phase. Based on these results one can speculate that the soliton collisions in the sine-Gordon field can, in principle, controllably produce very high energy density. This can have important consequences for many physical phenomena described by the Klein-Gordon equations.

  7. Charge and spin correlations in high temperature superconductors

    Science.gov (United States)

    Hayden, Stephen

    2013-03-01

    The cuprate high temperatures superconductors are characterised by numerous competing, and in some cases, co-existing broken symmetries. A important question is to what extent such additional ordered states exist for compositions with high superconducting transition temperatures. I will discuss high-energy X-ray diffraction measurements which show that a charge density wave state (CDW) develops at zero field in the normal state of superconducting YBa2Cu3O6.67 (Tc = 67 K). This material 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. We find that the CDW and superconductivity are competing orders with similar energy scales, and the high-Tc superconductivity forms from a pre-existing CDW environment. Our results provide a mechanism for the formation of small Fermi surface pockets which can explain the negative Hall and Seebeck effects and the Tc plateau in this material. Work performed in collaboration with J. Chang, E. Blackburn, A. T. Holmes, N. B. Christensen, J. Larsen, J. Mesot, Ruixing Liang, D. A. Bonn, W. N. Hardy, A. Watenphul, M. v. Zimmermann and E. M. Forgan.

  8. Production of heavy charged Higgs particles at very high energies

    OpenAIRE

    Grifols, Josep Antoni; Solà Peracaula, Joan

    1981-01-01

    The production of heavy charged Higgs bosons at very high energies (LEP) is investigated. It turns out that, in favorable circumstances, charged scalars of mass 50-100 GeV could be detected and be even more copiously produced than the standard neutral Weinberg-Salam-type Higgs particle of the same mass.

  9. Collision phenomena involving highly-charged ions in astronomical objects

    Science.gov (United States)

    Chutjian, A.

    2001-01-01

    A description of the role of highly charged ions in various astronomical objects; includes the use of critical quantities such as cross sections for excitation, charge-exchange, X-ray emission, radiative recombination (RR) and dielectronic recombination (DR); and lifetimes, branching ratios, and A-values.

  10. Space charge accumulation in polymeric high voltage DC cable systems

    NARCIS (Netherlands)

    Bodega, R.

    2006-01-01

    One of the intrinsic properties of the polymeric high voltage (HV) direct current (DC) cable insulation is the accumulation of electrostatic charges. Accumulated charges distort the initial Laplacian distribution of the electric field, leading to a local field enhancement that may cause insulation d

  11. Charge density study on cyclosporine A. Methodical evaluations for the application of area detectors for charge density studies; Elektronendichtestudie an Cyclosporin A. Methodische Untersuchungen zum Einsatz von Flaechendetektoren fuer Elektronendichtestudien

    Energy Technology Data Exchange (ETDEWEB)

    Johnas, S.K.J.

    2008-02-15

    The aim of this work has been the electron density study on the relatively large and pharmaceutical interesting molecule cyclosporine A (C{sub 62}H{sub 111}N{sub 11}O{sub 12}) in order to investigate the currently available experimental possibilities and analysis methods for larger organic structures. The applied experimental measurement method has been evaluated thoroughly and has accented the need for the development of an oblique incidence correction for intensity data from high resolution crystal structure analysis datasets (beyond D{sub min}=0.5 A) collected using area detectors. This issue is due to the application of hard X-rays for X-ray diffraction experiments, for crystals of organic substances about 20 keV and higher, since it has the advantage of minimising systematic errors like absorption and extinction. Furthermore, only area detectors enable the collection of intensity data necessary within a practical time frame, especially for crystals with large unit cells. For the electron density study on cyclosporine A, X-ray diffraction experiments with single crystals have been carried out at low temperatures at Swiss Light Source (SLS). The developed oblique incidence correction has been applied to these datasets. Subsequently, the structure has been refined using the multipole model by Hansen and Coppens, which takes into account the deformation of the atomic electron density due to chemical bonding effects. The applied programs needed to be adjusted because of the large size of the molecule. Thus, the electron density has been studied in detail. The resulting physical and chemical characteristics have been quantified, such as the topology of the electron density, the electrostatic potential and the atomic volumes and charges. The reflection intensities, which are obtained by the developed intensity correction, are appropriate for a detailed charge density determination even for relatively large structures. (orig.)

  12. Supernovae and high density nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Kahana, S.

    1986-01-01

    The role of the nuclear equation of state (EOS) in producing prompt supernova explosions is examined. Results of calculations of Baron, Cooperstein, and Kahana incorporating general relativity and a new high density EOS are presented, and the relevance of these calculations to laboratory experiments with heavy ions considered. 31 refs., 6 figs., 2 tabs.

  13. High Gluon Densities in Heavy Ions Collisions

    CERN Document Server

    Blaizot, Jean-Paul

    2016-01-01

    The early stages of heavy ion collisions are dominated by high density systems of gluons that carry each a small fraction $x$ of the momenta of the colliding nucleons. A distinguishing feature of such systems is the phenomenon of "saturation" which tames the expected growth of the gluon density as the energy of the collision increases. The onset of saturation occurs at a particular transverse momentum scale, the "saturation momentum", that emerges dynamically and that marks the onset of non-linear gluon interactions. At high energy, and for large nuclei, the saturation momentum is large compared to the typical hadronic scale, making high density gluons amenable to a description with weak coupling techniques. This paper reviews some of the challenges faced in the study of such dense systems of small $x$ gluons, and of the progress made in addressing them. The focus is on conceptual issues, and the presentation is both pedagogical, and critical. Examples where high gluon density could play a visible role in hea...

  14. High Density GEOSAT/GM Altimeter Data

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The high density Geosat/GM altimeter data south of 30 S have finally arrived. In addition, ERS-1 has completed more than 6 cycles of its 35-day repeat track. These...

  15. Symmetry breaking induced by charge density and the entropy of interacting fields

    Science.gov (United States)

    Bekenstein, Jacob D.; Guendelman, E. I.

    1987-01-01

    We study interacting complex scalar field theories with global U(1) symmetry and concave potentials. It is usually assumed that spontaneous symmetry breaking is excluded for such interaction. However, we show that degenerate ground states appear when the system is considered as a charged medium, which we take to be so large that it makes sense to speak of a uniform, finite, charge density. This of course implies that we are considering as ground states solutions that select a particular Lorentz frame. The consequent symmetry breaking is accompanied by the usual Goldstone modes. It makes topological solitons possible in 1+1 dimensions. Further, a new kind of nontopological solitons appears, again in 1+1 dimensions. These are embedded in a uniformly charged background. Unlike the Friedberg-Lee-Sirlin solitons, those studied here do not require a complicatedly shaped potential to exist. Although Derrick's theorem, which forbids higher-dimensional solitons, cannot be proved in the present context, it appears that such solitons are still forbidden in the presence of finite charge density. When the field is confined to a box, the frequency spectrum is, classically, a continuum. This is in sharp contrast to the situation for linear fields. However, semiclassical quantization, or the requirement that charge be quantized, both make the spectrum discrete. We show by general arguments that the energy spectrum (distinct from the frequency spectrum for nonlinear fields) for the interacting field in a box must have widely spaced levels. For the case of a quartic potential we compute the energy levels exactly in 1+1 dimensions, and verify this conclusion directly. The interacting scalar field thus complies in detail with the bound on specific entropy proposed by one of us earlier as applicable to all finite physical systems.

  16. Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms.

    Science.gov (United States)

    Lee, Louis P; Limas, Nidia Gabaldon; Cole, Daniel J; Payne, Mike C; Skylaris, Chris-Kriton; Manz, Thomas A

    2014-12-01

    The density derived electrostatic and chemical (DDEC/c3) method is implemented into the onetep program to compute net atomic charges (NACs), as well as higher-order atomic multipole moments, of molecules, dense solids, nanoclusters, liquids, and biomolecules using linear-scaling density functional theory (DFT) in a distributed memory parallel computing environment. For a >1000 atom model of the oxygenated myoglobin protein, the DDEC/c3 net charge of the adsorbed oxygen molecule is approximately -1e (in agreement with the Weiss model) using a dynamical mean field theory treatment of the iron atom, but much smaller in magnitude when using the generalized gradient approximation. For GaAs semiconducting nanorods, the system dipole moment using the DDEC/c3 NACs is about 5% higher in magnitude than the dipole computed directly from the quantum mechanical electron density distribution, and the DDEC/c3 NACs reproduce the electrostatic potential to within approximately 0.1 V on the nanorod's solvent-accessible surface. As examples of conducting materials, we study (i) a 55-atom Pt cluster with an adsorbed CO molecule and (ii) the dense solids Mo2C and Pd3V. Our results for solid Mo2C and Pd3V confirm the necessity of a constraint enforcing exponentially decaying electron density in the tails of buried atoms.

  17. Charge preserving high order PIC schemes

    Energy Technology Data Exchange (ETDEWEB)

    Londrillo, P., E-mail: pasquale.londrillo@oabo.inaf.i [INAF Bologna Osservatorio Astronomico (Italy); INFN Sezione Bologna (Italy); Benedetti, C.; Sgattoni, A.; Turchetti, G. [INFN Sezione Bologna (Italy); Dipartimento di Fisica dell' Universita di Bologna (Italy)

    2010-08-01

    In this paper we present some new results on our investigation aimed at extending to higher order (HOPIC) the classical PIC framework. After reviewing the basic resolution properties of the Runge-Kutta time integrator, coupled to fourth (sixth) order compact schemes for space derivatives in the Maxwell equations, we focus on the problem of extending charge conservation schemes to a general HOPIC framework. This issue represents the main contribution of the present work. We consider then a few numerical examples of 1D laser-plasma interaction in the under-dense and over-dense regimes relevant for ions acceleration, to test grid convergence and to compare HOPIC results with standard PIC schemes (LOPIC).

  18. Aromatic Polyurea Possessing High Electrical Energy Density and Low Loss

    Science.gov (United States)

    Thakur, Yash; Lin, Minren; Wu, Shan; Zhang, Q. M.

    2016-10-01

    We report the development of a dielectric polymer, poly (ether methyl ether urea) (PEMEU), which possesses a dielectric constant of 4 and is thermally stable up to 150°C. The experimental results show that the ether units are effective in softening the rigid polymer and making it thermally processable, while the high dipole moment of urea units and glass structure of the polymer leads to a low dielectric loss and low conduction loss. As a result, PEMEU high quality thin films can be fabricated which exhibit exceptionally high breakdown field of >1.5 GV/m, and a low conduction loss at fields up to the breakdown. Consequently, the PEMEU films exhibit a high charge-discharge efficiency of 90% and a high discharged energy density of 36 J/cm3.

  19. The 181Ta Nuclear Quadrupole Interaction in the Charge Density Wave Phases of 1T-TaS2

    Science.gov (United States)

    Ganal, P.; Butz, T.; Lerf, A.; Naito, M.; Nishihara, H.

    1990-04-01

    With a high resolution time differential perturbed angular correlation spectrometer we investigated the nuclear quadrupole interaction of Ta in 1T-TaS2 . The results obtained for the commensurate charge density wave phase lead to a revised assignment of the previously observed 181Ta NQR resonances. Differences in the intracluster architecture of the 13-atom Star of David cluster between 1T-TaS2 and 1T-TaSe2 could be responsible for the metal to semiconductor transition which occurs in lT-TaS2 but not in lT-TaSe2 .

  20. Two-color QCD at high density

    Energy Technology Data Exchange (ETDEWEB)

    Boz, Tamer; Skullerud, Jon-Ivar [Department of Mathematical Physics, Maynooth University, Maynooth, Co. Kildare (Ireland); Centre for the Subatomic Structure of Matter, Adelaide University, Adelaide, SA 5005 (Australia); Giudice, Pietro [Universität Münster, Institut für Theoretische Physik, Münster (Germany); Hands, Simon [Department of Physics, College of Science, Swansea University, Swansea (United Kingdom); Williams, Anthony G. [Centre for the Subatomic Structure of Matter, Adelaide University, Adelaide, SA 5005 (Australia)

    2016-01-22

    QCD at high chemical potential has interesting properties such as deconfinement of quarks. Two-color QCD, which enables numerical simulations on the lattice, constitutes a laboratory to study QCD at high chemical potential. Among the interesting properties of two-color QCD at high density is the diquark condensation, for which we present recent results obtained on a finer lattice compared to previous studies. The quark propagator in two-color QCD at non-zero chemical potential is referred to as the Gor’kov propagator. We express the Gor’kov propagator in terms of form factors and present recent lattice simulation results.

  1. Measuring the Charge of a Single Dielectric Nanoparticle Using a High-Q Optical Microresonator

    Science.gov (United States)

    Chen, You-Ling; Jin, Wei-Liang; Xiao, Yun-Feng; Zhang, Xuming

    2016-10-01

    Measuring the charge of a nanoparticle is of great importance in many fields including optics, astronomy, biochemistry, atmospheric science, environmental engineering, and dusty plasma. Here, we propose to use a high-Q whispering-gallery-mode (WGM) optical microresonator to detect the surface and bulk charge of a dielectric nanoparticle. Because of the modification of nanoparticle conductivity induced by the surplus electrons, both the coupling strength between the nanoparticle and the WGM and the dissipation changes compared with the case of a neutral nanoparticle. The charge density can be inferred from the transmission spectrum of the WGM microresonator. By monitoring the mode splitting, the linewidth broadening or the resonance dip value of the transmission spectrum, surface (bulk) electron density as low as 0.007 nm-2 (0.001 nm-3) can be detected for nanoparticles with negative (positive) electron affinity. The high sensitivity is attributed to the ultranarrow resonance linewidth and small mode volume of the microresonator.

  2. Investigation of asymmetric alcohol dehydrogenase (ADH) reduction of acetophenone derivatives: effect of charge density.

    Science.gov (United States)

    Naik, Hemantkumar G; Yeniad, Bahar; Koning, Cor E; Heise, Andreas

    2012-07-01

    In an effort to study the effect of substituent groups of the substrate on the alcohol dehydrogenase (ADH) reductions of aryl-alkyl ketones, several derivatives of acetophenone have been evaluated against ADHs from Lactobacillus brevis (LB) and Thermoanaerobacter sp. (T). Interestingly, ketones with non-demanding (neutral) para-substituents were reduced to secondary alcohols by these enzymes in enantiomerically pure form whereas those with demanding (ionizable) substituents could not be reduced. The effect of substrate size, their solubility in the reaction medium, electron donating and withdrawing properties of the ligand and also the electronic charge density distribution on the substrate molecules have been studied and discussed in detail. From the results, it is observed that the electronic charge distribution in the substrate molecules is influencing the orientation of the substrate in the active site of the enzyme and hence the ability to reduce the substrate.

  3. Multiple parton interactions in high-density QCD matter

    CERN Document Server

    Srivastava, D K; Srivastava, Dinesh K.; Geiger, Klaus

    1999-01-01

    Multiple interactions of quarks and gluons in high-energy heavy-ion collisions may give rise to interesting phemomena of color charges propagating in high-density QCD matter. We study the dynamics of multi-parton systems produced in nucleus-nucleus collisions at energies corresponding the the CERN SPS and the future BNL RHIC experiments. Due to the complexity of the multi-particle dynamics we choose to employ the parton cascade model in order to simulate the development of multiple parton scatterings and associated stimulated emision processes. Our results indicate a non-linear increase with nuclear mass A of, e.g., parton multiplicity, energy density, strangeness, and contrast a linear A-scaling as in Glauber-type approaches. If multiple interactions are suppressed and only single parton scatterings (no re-interactions) are considered, we recover such a linear behavior. It remains to be studied whether these results on the parton level can be experimentally seen in final-state observables, such as the charge...

  4. The High Density Region of QCD from an Effective Model

    CERN Document Server

    De Pietri, R; Seiler, E; Stamatescu, I O

    2007-01-01

    We study the high density region of QCD within an effective model obtained in the frame of the hopping parameter expansion and choosing Polyakov-type loops as the main dynamical variables representing the fermionic matter. This model still shows the so-called sign problem, a difficulty peculiar to non-zero chemical potential, but it permits the development of algorithms which ensure a good overlap of the simulated Monte Carlo ensemble with the true one. We review the main features of the model and present results concerning the dependence of various observables on the chemical potential and on the temperature, in particular of the charge density and the Polykov loop susceptibility, which may be used to characterize the various phases expected at high baryonic density. In this way, we obtain information about the phase structure of the model and the corresponding phase transitions and cross over regions, which can be considered as hints about the behaviour of non-zero density QCD.

  5. 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.

  6. Construction of the steady state density matrix and quasilocal charges for the spin-1/2 XXZ chain with boundary magnetic fields

    Science.gov (United States)

    Matsui, Chihiro; Prosen, Tomaž

    2017-09-01

    We construct the nonequilibrium steady state (NESS) density operator of the spin-1/2 XXZ chain with non-diagonal boundary magnetic fields coupled to boundary dissipators. The Markovian boundary dissipation is found with which the NESS density operator is expressed in terms of the product of the Lax operators by relating the dissipation parameters to the boundary parameters of the spin chain. The NESS density operator can be expressed in terms of a non-Hermitian transfer operator (NHTO) which forms a commuting family of quasilocal charges. The optimization of the Mazur bound for the high temperature Drude weight is discussed by using the quasilocal charges and the conventional local charges constructed through the Bethe ansatz.

  7. Frequency-dependent response of a pinned charge-density wave

    Science.gov (United States)

    Vinokur, Valerii; Fogler, Michael

    2003-03-01

    Recent theoretical advances in the theory of collective pinning [M. M. Fogler, Phys. Rev. Lett. 88, 186402 (2002)] enable us to go beyond the usual phenomenology in the theory of a finite-frequency response of a pinned charge-density wave (CDW) and to calculate ω and T dependences of the complex dielectric function without additional assumptions. According to our estimates, in typical electrical experiments on CDW, the dominant process is a thermal activation over atypically shallow barriers. It gives rise to a novel T^3/4-dependence of the linear response, in agreement with the experiment. A close analogy with acoustic attenuation in glassy dielectrics is noted.

  8. 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.

  9. Orbital localization, charge transfer, and band gaps in semilocal density-functional theory.

    Science.gov (United States)

    Armiento, R; Kümmel, S

    2013-07-19

    We derive an exchange energy functional of generalized gradient form with a corresponding potential that changes discontinuously at integer particle numbers. The functional is semilocal, yet incorporates key features that are connected to the derivative discontinuity of Kohn-Sham density-functional theory. We validate our construction for several paradigm systems and explain how it addresses central well-known deficiencies of antecedent semilocal methods, i.e., the description of charge transfer, properly localized orbitals, and band gaps. We find, e.g., an improved shell structure for atoms, eigenvalues that more closely correspond to ionization energies, and an improved description of band structure where localized states are lowered in energy.

  10. Pressure Dependence of the Charge-Density-Wave Gap in Rare-Earth Tri-Tellurides

    Energy Technology Data Exchange (ETDEWEB)

    Sacchetti, A.; /Zurich, ETH; Arcangeletti, E.; Perucchi, A.; Baldassarre, L.; Postorino, P.; Lupi, S.; /Rome U.; Ru, N.; Fisher, I.R.; /Stanford U., Geballe Lab.; Degiorgi, L.; /Zurich, ETH

    2009-12-14

    We investigate the pressure dependence of the optical properties of CeTe{sub 3}, which exhibits an incommensurate charge-density-wave (CDW) state already at 300 K. Our data are collected in the mid-infrared spectral range at room temperature and at pressures between 0 and 9 GPa. The energy for the single particle excitation across the CDW gap decreases upon increasing the applied pressure, similarly to the chemical pressure by rare-earth substitution. The broadening of the bands upon lattice compression removes the perfect nesting condition of the Fermi surface and therefore diminishes the impact of the CDW transition on the electronic properties of RTe{sub 3}.

  11. A study of transverse charge density of pions in relativistic quantum mechanics

    Institute of Scientific and Technical Information of China (English)

    DONG Yu-Bing; WANG Yi-Zhan

    2011-01-01

    The transverse charge density of pions is calculated based on relativistic quantum mechanics,where the pion is regarded as a quark-antiquark bound state. Corrections from the two spin-1/2 constituents and from the wave function of a quark and antiquark inside the bound system are discussed. The calculated results are compared to the results with a realistic effective Lagrangian approach as well as to that with a simple covariant model where the pion is regarded as a composite system with two scalar particles.

  12. Magnetic field dependence of the threshold electric field in unconventional charge density waves

    Science.gov (United States)

    Dóra, Balázs; Virosztek, Attila; Maki, Kazumi

    2002-04-01

    Many experiments suggest that the unidentified low-temperature phase of α-(BEDT-TTF)2KHg(SCN)4 is most likely unconventional charge density wave (UCDW). To further extend this identification we present our theoretical study of the threshold electric field of UCDW in a magnetic field. The magnetic field-temperature phase diagram is very similar to those in a d-wave superconductor. The optical conductivity shows clear features characteristic to both UDW and magnetic field. We find a rather strong field dependence of the threshold electric field, which shows qualitatively good agreement with the experimental data.

  13. Optical properties of the Ce and La ditelluride charge density wave compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lavagnini, M.; Sacchetti, A.; Degiorgi, L.; /Zurich, ETH; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab. /Stanford U., Appl. Phys. Dept.

    2010-02-15

    The La and Ce di-tellurides LaTe{sub 2} and CeTe{sub 2} are deep in the charge-density-wave (CDW) ground state even at 300 K. We have collected their electrodynamic response over a broad spectral range from the far infrared up to the ultraviolet. We establish the energy scale of the single particle excitation across the CDW gap. Moreover, we find that the CDW collective state gaps a very large portion of the Fermi surface. Similarly to the related rare earth tri-tellurides, we envisage that interactions and Umklapp processes play a role in the onset of the CDW broken symmetry ground state.

  14. 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.

  15. High Energy Density Physics and Exotic Acceleration Schemes

    Energy Technology Data Exchange (ETDEWEB)

    Cowan, T.; /General Atomics, San Diego; Colby, E.; /SLAC

    2005-09-27

    The High Energy Density and Exotic Acceleration working group took as our goal to reach beyond the community of plasma accelerator research with its applications to high energy physics, to promote exchange with other disciplines which are challenged by related and demanding beam physics issues. The scope of the group was to cover particle acceleration and beam transport that, unlike other groups at AAC, are not mediated by plasmas or by electromagnetic structures. At this Workshop, we saw an impressive advancement from years past in the area of Vacuum Acceleration, for example with the LEAP experiment at Stanford. And we saw an influx of exciting new beam physics topics involving particle propagation inside of solid-density plasmas or at extremely high charge density, particularly in the areas of laser acceleration of ions, and extreme beams for fusion energy research, including Heavy-ion Inertial Fusion beam physics. One example of the importance and extreme nature of beam physics in HED research is the requirement in the Fast Ignitor scheme of inertial fusion to heat a compressed DT fusion pellet to keV temperatures by injection of laser-driven electron or ion beams of giga-Amp current. Even in modest experiments presently being performed on the laser-acceleration of ions from solids, mega-amp currents of MeV electrons must be transported through solid foils, requiring almost complete return current neutralization, and giving rise to a wide variety of beam-plasma instabilities. As keynote talks our group promoted Ion Acceleration (plenary talk by A. MacKinnon), which historically has grown out of inertial fusion research, and HIF Accelerator Research (invited talk by A. Friedman), which will require impressive advancements in space-charge-limited ion beam physics and in understanding the generation and transport of neutralized ion beams. A unifying aspect of High Energy Density applications was the physics of particle beams inside of solids, which is proving to

  16. Method of high-density foil fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Blue, Craig A.; Sikka, Vinod K.; Ohriner, Evan K.

    2003-12-16

    A method for preparing flat foils having a high density includes the steps of mixing a powdered material with a binder to form a green sheet. The green sheet is exposed to a high intensity radiative source adapted to emit radiation of wavelengths corresponding to an absorption spectrum of the powdered material. The surface of the green sheet is heated while a lower sub-surface temperature is maintained. An apparatus for preparing a foil from a green sheet using a radiation source is also disclosed.

  17. Observation of a Charge Density Wave Incommensuration Near the Superconducting Dome in Cux TiSe2

    Science.gov (United States)

    Kogar, A.; de la Pena, G. A.; Lee, Sangjun; Fang, Y.; Sun, S. X.-L.; Lioi, D. B.; Karapetrov, G.; Finkelstein, K. D.; Ruff, J. P. C.; Abbamonte, P.; Rosenkranz, S.

    2017-01-01

    X-ray diffraction was employed to study the evolution of the charge density wave (CDW) in Cux TiSe2 as a function of copper intercalation in order to clarify the relationship between the CDW and superconductivity. The results show a CDW incommensuration arising at an intercalation value coincident with the onset of superconductivity at around x =0.055 (5 ) . Additionally, it was found that the charge density wave persists to higher intercalant concentrations than previously assumed, demonstrating that the CDW does not terminate inside the superconducting dome. A charge density wave peak was observed in samples up to x =0.091 (6 ), the highest copper concentration examined in this study. The phase diagram established in this work suggests that charge density wave incommensuration may play a role in the formation of the superconducting state.

  18. Effect of pristine graphene incorporation on charge storage mechanism of three-dimensional graphene oxide: superior energy and power density retention

    Science.gov (United States)

    Singh, Kiran Pal; Bhattacharjya, Dhrubajyoti; Razmjooei, Fatemeh; Yu, Jong-Sung

    2016-08-01

    In the race of gaining higher energy density, carbon’s capacity to retain power density is generally lost due to defect incorporation and resistance increment in carbon electrode. Herein, a relationship between charge carrier density/charge movement and supercapacitance performance is established. For this purpose we have incorporated the most defect-free pristine graphene into defective/sacrificial graphene oxide. A unique co-solvent-based technique is applied to get a homogeneous suspension of single to bi-layer graphene and graphene oxide. This suspension is then transformed into a 3D composite structure of pristine graphene sheets (GSs) and defective N-doped reduced graphene oxide (N-RGO), which is the first stable and homogenous 3D composite between GS and RGO to the best of our knowledge. It is found that incorporation of pristine graphene can drastically decrease defect density and thus decrease relaxation time due to improved associations between electrons in GS and ions in electrolyte. Furthermore, N doping is implemented selectively only on RGO and such doping is shown to improve the charge carrier density of the composite, which eventually improves the energy density. After all, the novel 3D composite structure of N-RGO and GS greatly improves energy and power density even at high current density (20 A/g).

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

    CERN Document Server

    Abelev, Betty; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agocs, Andras Gabor; Agostinelli, Andrea; Ahammed, Zubayer; Ahmad, Nazeer; Ahmad, Arshad; Ahn, Sang Un; Ahn, Sul-Ah; Ajaz, Muhammad; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alfaro Molina, Jose Ruben; 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; Baldini Ferroli, Rinaldo; 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; 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; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bhom, Jihyun; Bianchi, Livio; Bianchi, Nicola; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Bjelogrlic, Sandro; Blanco, Francesco; Blanco, F; 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; Browning, Tyler Allen; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Busch, Oliver; Buthelezi, Edith Zinhle; Caballero Orduna, Diego; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Wisla; Carena, Francesco; 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; Chawla, Isha; 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; 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

    2013-01-01

    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. HIGH DENSITY QCD WITH HEAVY-IONS

    CERN Multimedia

    The Addendum 1 to Volume 2 of the CMS Physics TDR has been published The Heavy-Ion analysis group completed the writing of a TDR summarizing the CMS plans in using heavy ion collisions to study high density QCD. The document was submitted to the LHCC in March and presented in the Open Session of the LHCC on May 9th. The study of heavy-ion physics at the LHC is promising to be very exciting. LHC will open a new energy frontier in ultra-relativistic heavy-ion physics. The collision energy of heavy nuclei at sNN = 5.5 TeV will be thirty times larger than what is presently available at RHIC. We will certainly probe quark and gluon matter at unprecedented values of energy density. The prime goal of this research programme is to study the fundamental theory of the strong interaction - Quantum Chromodynamics (QCD) - in extreme conditions of temperature, density and parton momentum fraction (low-x). Such studies, with impressive experimental and theoretical advances in recent years thanks to the wealth of high-qua...

  1. 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

  2. Electronic properties and charge density of BeZn1−Te alloys

    Indian Academy of Sciences (India)

    C B Swarnkar; U Paliwal; N N Patel; K B Joshi

    2011-06-01

    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 crystal approximation. Throughout the composition, valence band maximum resides at the point. The conduction band minimum, however, shifts from to point of symmetry when = 0.27. The observed crossover from direct to indirect bandgap is well in accordance with the experimental observations. Effect of alloying on the density of states is also discussed. The charge density distribution along a few major planes is computed and discussed. The electronic band structure related parameters like bandwidths, bandgaps and ionicity are reported and compared with experimental data wherever available. We also give estimates of cohesive energy and bulk modulus for the alloys.

  3. Halogen bonding in fluorine: experimental charge density study on intermolecular F···F and F···S donor-acceptor contacts.

    Science.gov (United States)

    Pavan, Mysore S; Durga Prasad, Karothu; Row, T N Guru

    2013-09-04

    The enigmatic type II C-F···F-C and C-F···S-C interactions in pentafluorophenyl 2,2'-bithiazole are shown to be realistic "σ-hole" interactions based on high resolution X-ray charge density analysis.

  4. C-reactive protein and annexin A5 bind to distinct sites of negatively charged phospholipids present in oxidized low-density lipoprotein.

    NARCIS (Netherlands)

    Tits, L.J.H. van; Graaf, J. de; Toenhake, H.; Heerde, W.L. van; Stalenhoef, A.F.H.

    2005-01-01

    OBJECTIVE: To investigate binding of C-reactive protein (CRP) and annexin A5, 2 proteins with high affinity for negatively charged phospholipids, to oxidized low-density lipoprotein (LDL) and the consequences of these interactions for subsequent binding of oxidized LDL to monocyte/macrophage-like

  5. Atomic physics with highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

    This report discusses: One electron outer shell processes in fast ion-atom collisions; role of electron-electron interaction in two-electron processes; multi-electron processes at low energy; multi-electron processes at high energy; inner shell processes; molecular fragmentation studies; theory; and, JRM laboratory operations.

  6. Charged-particle rapidity density in Au+Au collisions in a quark combination model

    Science.gov (United States)

    Shao, Feng-Lan; Yao, Tao; Xie, Qu-Bing

    2007-03-01

    Rapidity/pseudorapidity densities for charged particles and their centrality, rapidity, and energy dependence in Au+Au collisions at the Relativistic Heavy Ion Collider are studied in a quark combination model. Using a Gaussian-type rapidity distribution for constituent quarks as a result of Landau hydrodynamic evolution, the data at sNN=130,200 GeV at various centralities in full pseudorapidity range are well described, and the charged-particle multiplicities are reproduced as functions of the number of participants. The energy dependence of the shape of the dNch/dη distribution is also described at various collision energies sNN=200,130,62.4 GeV in central collisions with same value of parameters except 19.6 GeV. The calculated rapidity distributions and yields for the charged pions and kaons in central Au+Au collisions at sNN=200 GeV are compared with experimental data of the BRAHMS Collaboration.

  7. 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.

  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. Surface electrochemical properties of red mud (bauxite residue): zeta potential and surface charge density.

    Science.gov (United States)

    Liu, Yanju; Naidu, Ravendra; Ming, Hui

    2013-03-15

    The surface electrochemical properties of red mud (bauxite residue) from different alumina refineries in Australia and China were studied by electrophoresis and measuring surface charge density obtained from acid/base potentiometric titrations. The electrophoretic properties were measured from zeta potentials obtained in the presence of 0.01 and 0.001 M KNO(3) over a wide pH range (3.5-10) by titration. The isoelectric point (IEP) values were found to vary from 6.35 to 8.70 for the red mud samples. Further investigation into the surface charge density of one sample (RRM) by acid/base potentiometric titration showed similar results for pH(PZC) with pH(IEP) obtained from electrokinetic measurements. The pH(IEP) determined from zeta potential measurements can be used as a characteristic property of red mud. The minerals contained in red mud contributed to the different values of pH(IEP) of samples obtained from different refineries. Different relationships of pH(IEP) with Al/Fe and Al/Si ratios (molar basis) were also found for different red mud samples.

  10. Origin of Charge Density at LaAlO3 on SrTiO3 Heterointerfaces: Possibility of Intrinsic Doping

    Science.gov (United States)

    Siemons, Wolter; Koster, Gertjan; Yamamoto, Hideki; Harrison, Walter A.; Lucovsky, Gerald; Geballe, Theodore H.; Blank, Dave H. A.; Beasley, Malcolm R.

    2007-05-01

    As discovered by Ohtomo and Hwang, a large sheet charge density with high mobility exists at the interface between SrTiO3 and LaAlO3. Based on transport, spectroscopic, and oxygen-annealing experiments, we conclude that extrinsic defects in the form of oxygen vacancies introduced by the pulsed laser deposition process used by all researchers to date to make these samples is the source of the large carrier densities. Annealing experiments show a limiting carrier density. We also present a model that explains the high mobility based on carrier redistribution due to an increased dielectric constant.

  11. Ionic Behavior in Highly Concentrated Aqueous Solutions Nanoconfined between Discretely Charged Silicon Surfaces.

    Science.gov (United States)

    Qiu, Yinghua; Ma, Jian; Chen, Yunfei

    2016-05-17

    Through molecular dynamics simulations considering thermal vibration of surface atoms, ionic behaviors in concentrated NaCl solutions confined between discretely charged silicon surfaces have been investigated. The electric double layer structure was found to be sensitive to the density and distribution of surface charges. Due to the discreteness of the surface charge, a slight charge inversion appeared which depended on the surface charge density, bulk concentration, and confinement. In the nanoconfined NaCl solutions concentrated from 0.2 to 4.0 M, the locations of accumulation layers for Na(+) and Cl(-) ions remained stable, but their peak values increased. The higher the concentration was, the more obvious the charge inversion appeared. In 4.0 M NaCl solution, Na(+) and Cl(-) ions show obvious alternating layered distributions which may correspond to the solidification found in experiments. By changing surface separation, the confinement had a large effect on the ionic distribution. As both surfaces approached each other, many ions and water molecules were squeezed out of the confined space. Two adjacent layers in ion or water distribution profiles can be forced closer to each other and merge together. From ionic hydration analysis, the coordination number of Na(+) ions in highly confined space was much lower than that in the bulk.

  12. Characterization of the surface charge distribution on kaolinite particles using high resolution atomic force microscopy

    Science.gov (United States)

    Kumar, Naveen; Zhao, Cunlu; Klaassen, Aram; van den Ende, Dirk; Mugele, Frieder; Siretanu, Igor

    2016-02-01

    Most solid surfaces, in particular clay minerals and rock surfaces, acquire a surface charge upon exposure to an aqueous environment due to adsorption and/or desorption of ionic species. Macroscopic techniques such as titration and electrokinetic measurements are commonly used to determine the surface charge and ζ -potential of these surfaces. However, because of the macroscopic averaging character these techniques cannot do justice to the role of local heterogeneities on the surfaces. In this work, we use dynamic atomic force microscopy (AFM) to determine the distribution of surface charge on the two (gibbsite-like and silica-like) basal planes of kaolinite nanoparticles immersed in aqueous electrolyte with a lateral resolution of approximately 30 nm. The surface charge density is extracted from force-distance curves using DLVO theory in combination with surface complexation modeling. While the gibbsite-like and the silica-like facet display on average positive and negative surface charge values as expected, our measurements reveal lateral variations of more than a factor of two on seemingly atomically smooth terraces, even if high resolution AFM images clearly reveal the atomic lattice on the surface. These results suggest that simple surface complexation models of clays that attribute a unique surface chemistry and hence homogeneous surface charge densities to basal planes may miss important aspects of real clay surfaces.

  13. Characterization of the internal ion environment of biofilms based on charge density and shape of ion.

    Science.gov (United States)

    Kurniawan, Andi; Tsuchiya, Yuki; Eda, Shima; Morisaki, Hisao

    2015-12-01

    Biofilm polymers contain both electrically positively and negatively charged sites. These charged sites enable the biofilm to trap and retain ions leading to an important role of biofilm such as nutrient recycling and pollutant purification. Much work has focused on the ion-exchange capacity of biofilms, and they are known to adsorb ions through an exchange mechanism between the ions in solution and the ions adsorbed to the charged sites on the biofilm polymer. However, recent studies suggest that the adsorption/desorption behavior of ions in a biofilm cannot be explained solely by this ion exchange mechanism. To examine the possibility that a substantial amount of ions are held in the interstitial region of the biofilm polymer by an electrostatic interaction, intact biofilms formed in a natural environment were immersed in distilled water and ion desorption was investigated. All of the detected ion species were released from the biofilms over a short period of time, and very few ions were subsequently released over more time, indicating that the interstitial region of biofilm polymers is another ion reserve. The extent of ion retention in the interstitial region of biofilms for each ion can be determined largely by charge density, |Z|/r, where |Z| is the ion valence as absolute value and r is the ion radius. The higher |Z|/r value an ion has, the stronger it is retained in the interstitial region of biofilms. Ion shape is also a key determinant of ion retention. Spherical and non-spherical ions have different correlations between the condensation ratio and |Z|/r. The generality of these findings were assured by various biofilm samples. Thus, the internal regions of biofilms exchange ions dynamically with the outside environment.

  14. High Spectral Density Optical Communication Technologies

    CERN Document Server

    Nakazawa, Masataka; Miyazaki, Tetsuya

    2010-01-01

    The latest hot topics of high-spectral density optical communication systems using digital coherent optical fibre communication technologies are covered by this book. History and meaning of a "renaissance" of the technology, requirements to the Peta-bit/s class "new generation network" are also covered in the first part of this book. The main topics treated are electronic and optical devices, digital signal processing including forward error correction, modulation formats as well as transmission and application systems. The book serves as a reference to researchers and engineers.

  15. Influence of high-dose nitrogen implantation on the positive charge density of the buried oxide of silicon-on-insulator wafers%高剂量注氮对注氧隔离硅材料埋氧层中正电荷密度的影响

    Institute of Scientific and Technical Information of China (English)

    唐海马; 郑中山; 张恩霞; 于芳; 李宁; 王宁娟; 李国花; 马红芝

    2011-01-01

    The influence of nitrogen implantation on the properties of silicon-on-insulator buried oxide using separation by oxygen implantation was studied. Nitrogen ions were implanted into the buried oxide layer with a high-dose of 1016 cm-2.The experimental results showed that the positive charge density of the nitrogen-implanted buried oxide was obviously increased, compared with the control sampes without nitrogen implantation. It was also found that the post-implantation annealing caused an additional increase of the positive charge density in the nitrogen implanted samples. However,annealing time displayed a small effect on the positive charge density of the nitrogen implanted buried oxide, compared with the significant increase induced by nitrogen implantation. Moreover, the capacitance-voltage results showed that the positive charge density of the unannealed sample with nitrogen implanted is approximately equal to that of the sample annealed at 1100 ℃ for 2. 5 h in N2 ambient, despite an additional increase brought with annealing, and the buried oxide of the sample after 0.5 h annealing has a maximum value of positive charge density. According to the simulating results,the nitrogen implantation resulted in a heavy damage to the buried oxide, a lot of silicon and oxygen vacancies were introduced in the buried oxide during implantation. However, the Fourier transform infrared spectroscopy of the samples indicates that implantation induced defects can be basically eliminated after an annealing at 1100 ℃ for 0. 5 h. The increase of the positive charge density of the nitrogen implanted buried oxide is ascribed to the accumulation of implanted nitrogen near the interface of buried oxide and silicon, which caused the break of weak Si - Si bonds and the production of positive silicon ions in the silicon-rich region of the buried oxide near the interface, and this conclusion is supported by the results of secondary ion mass spectrometry.%为研究注氮改性对注氧

  16. Charged particle beam scanning using deformed high gradient insulator

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yu -Jiuan

    2015-10-06

    Devices and methods are provided to allow rapid deflection of a charged particle beam. The disclosed devices can, for example, be used as part of a hadron therapy system to allow scanning of a target area within a patient's body. The disclosed charged particle beam deflectors include a dielectric wall accelerator (DWA) with a hollow center and a dielectric wall that is substantially parallel to a z-axis that runs through the hollow center. The dielectric wall includes one or more deformed high gradient insulators (HGIs) that are configured to produce an electric field with an component in a direction perpendicular to the z-axis. A control component is also provided to establish the electric field component in the direction perpendicular to the z-axis and to control deflection of a charged particle beam in the direction perpendicular to the z-axis as the charged particle beam travels through the hollow center of the DWA.

  17. Beyond the local density approximation : improving density functional theory for high energy density physics applications.

    Energy Technology Data Exchange (ETDEWEB)

    Mattsson, Ann Elisabet; Modine, Normand Arthur; Desjarlais, Michael Paul; Muller, Richard Partain; Sears, Mark P.; Wright, Alan Francis

    2006-11-01

    A finite temperature version of 'exact-exchange' density functional theory (EXX) has been implemented in Sandia's Socorro code. The method uses the optimized effective potential (OEP) formalism and an efficient gradient-based iterative minimization of the energy. The derivation of the gradient is based on the density matrix, simplifying the extension to finite temperatures. A stand-alone all-electron exact-exchange capability has been developed for testing exact exchange and compatible correlation functionals on small systems. Calculations of eigenvalues for the helium atom, beryllium atom, and the hydrogen molecule are reported, showing excellent agreement with highly converged quantumMonte Carlo calculations. Several approaches to the generation of pseudopotentials for use in EXX calculations have been examined and are discussed. The difficult problem of finding a correlation functional compatible with EXX has been studied and some initial findings are reported.

  18. ‘Living’ PEGylation on gold nanoparticles to optimize cancer cell uptake by controlling targeting ligand and charge densities

    Science.gov (United States)

    Chen, Hongwei; Paholak, Hayley; Ito, Masayuki; Sansanaphongpricha, Kanokwan; Qian, Wei; Che, Yong; Sun, Duxin

    2013-09-01

    We report and demonstrate biomedical applications of a new technique—‘living’ PEGylation—that allows control of the density and composition of heterobifunctional PEG (HS-PEG-R; thiol-terminated poly(ethylene glycol)) on gold nanoparticles (AuNPs). We first establish ‘living’ PEGylation by incubating HS-PEG5000-COOH with AuNPs (˜20 nm) at increasing molar ratios from zero to 2000. This causes the hydrodynamic layer thickness to differentially increase up to 26 nm. The controlled, gradual increase in PEG-COOH density is revealed after centrifugation, based on the ability to re-suspend the pellet and increase the AuNP absorption. Using a fluorescamine-based assay we quantify differential HS-PEG5000-NH2 binding to AuNPs, revealing that it is highly efficient until AuNP saturation is reached. Furthermore, the zeta potential incrementally changes from -44.9 to +52.2 mV and becomes constant upon saturation. Using ‘living’ PEGylation we prepare AuNPs with different ratios of HS-PEG-RGD (RGD: Arg-Gly-Asp) and incubate them with U-87 MG (malignant glioblastoma) and non-target cells, demonstrating that targeting ligand density is critical to maximizing the efficiency of targeting of AuNPs to cancer cells. We also sequentially control the HS-PEG-R density to develop multifunctional nanoparticles, conjugating positively charged HS-PEG-NH2 at increasing ratios to AuNPs containing negatively charged HS-PEG-COOH to reduce uptake by macrophage cells. This ability to minimize non-specific binding/uptake by healthy cells could further improve targeted nanoparticle efficacy.

  19. Calculation of polarization and bound charge density inside a dielectric material in triboelectric nanogenerators: Analytical and numerical study

    Science.gov (United States)

    Kim, SeongMin; Ha, Jaewook; Kim, Jin-Baek

    2016-11-01

    We analytically calculated polarization and bound charge density inside the dielectric material in metal-to-dielectric-mode triboelectric nanogenerators (TENG) where the transferred charges are collected on the bottom metal via electrostatic induction from the triboelectric charges that are generated by frictional contact. This bound charge density is associated with the surface density of states (DOS), overline{Ns(E)}. Two cases are considered here: i) for overline{Ns(E)} ≫ 1, it is calculated that the bound charge density is proportional to the dielectric constant and the work function difference between the two materials, but inversely proportional to the thickness of the dielectric material (ɛ0(ɛ2-1) (E0-W)/e \\cdot d2); ii) for overline{Ns(E)} ≪ 1 with constant overline{Ns(E)}, the bound charge density is mostly proportional to the work function difference between the materials, and inversely proportional to the thickness of the dielectric material ((ɛ2-1)x/d_{2+\\varepsilon2\\cdot x} \\cdot Ns(E)\\cdot e\\cdot (E0-W)).

  20. Recycling of irradiated high-density polyethylene

    Science.gov (United States)

    Navratil, J.; Manas, M.; Mizera, A.; Bednarik, M.; Stanek, M.; Danek, M.

    2015-01-01

    Radiation crosslinking of high-density polyethylene (HDPE) is a well-recognized modification of improving basic material characteristics. This research paper deals with the utilization of electron beam irradiated HDPE (HDPEx) after the end of its lifetime. Powder of recycled HDPEx (irradiation dose 165 kGy) was used as a filler into powder of virgin low-density polyethylene (LDPE) in concentrations ranging from 10% to 60%. The effect of the filler on processability and mechanical behavior of the resulting mixtures was investigated. The results indicate that the processability, as well as mechanical behavior, highly depends on the amount of the filler. Melt flow index dropped from 13.7 to 0.8 g/10 min comparing the lowest and the highest concentration; however, the higher shear rate the lower difference between each concentration. Toughness and hardness, on the other hand, grew with increasing addition of the recycled HDPEx. Elastic modulus increased from 254 to 450 MPa and material hardness increased from 53 to 59 ShD. These results indicate resolving the problem of further recycling of irradiated polymer materials while taking advantage of the improved mechanical properties.

  1. High Energy Density aluminum/oxygen cell

    Science.gov (United States)

    Rudd, E. J.; Gibbons, D. W.

    An alternative to a secondary battery as the power source for vehicle propulsion is a fuel cell, an example of which is the metal/air cell using metals such as aluminum, zinc, or iron. Aluminum is a particularly attractive candidate, with high energy and power densities, environmentally acceptable and having a large, established industrial base for production and distribution. An aluminum/oxygen system is currently under development for a prototype unmanned, undersea vehicle (UUV) for the US navy and recent work has focussed upon low corrosion aluminum alloys, and an electrolyte management system for processing the by-products of the energy-producing reactions. This paper summarizes the progress made in both areas. Anode materials capable of providing high utilization factors over current densities ranging from 5 to 150 mA/cm 2 have been identified, such materials being essential to realize mission life for the UUV. With respect to the electrolyte management system, a filter/precipitator unit has been successfully operated for over 250 h in a large scale, half-cell system.

  2. Charged Particle Transport in High-Energy-Density Matter

    Science.gov (United States)

    Stanton, Liam; Murillo, Michael

    2016-10-01

    Transport coefficients for dense plasmas have been numerically computed using an effective Boltzmann approach. We have developed a simplified effective potential approach that yields accurate fits for all of the relevant cross sections and collision integrals. Our results have been validated with molecular dynamics simulations for self-diffusion, interdiffusion, viscosity, thermal conductivity and stopping power. Molecular dynamics has also been used to examine the underlying assumptions of the Boltzmann approach through a categorization of behaviors of the velocity autocorrelation function in the Yukawa phase diagram. Using a velocity-dependent screening model, we examine the role of dynamical screening in transport as well. Implications of these results for Coulomb logarithm approaches are discussed. This work is performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  3. On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.

    Science.gov (United States)

    Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo

    2015-12-30

    A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.

  4. Development of high energy density electrical double layer capacitors

    Science.gov (United States)

    Devarajan, Thamarai selvi

    Electrochemical Double Layer capacitors (EDLCs) have shown themselves as a viable energy storage alternative. EDLCs have high power density, faster charge/discharge, wide operating temperature and long cycle life compared to batteries since it stores charge by physical separation. Despites all their advantages, their low energy density stand as a bottleneck for capacitors. This research aims to increase the energy density of EDLC without compromising the power density. Energy is proportional to the square of cell voltage. Cell voltage is mainly dependent on electrolyte breakdown. Electrolytes also provide ions for charge separation and conduction. Therefore various electrolytes (Solutes and Solvents) which can give high concentration, solubility and decomposition potential were characterized in the first part of the research. In that study, a novel ionic liquid OPBF4 had higher capacitance and comparable voltage window compared to commercial TEABF4 in Acetonitrile. However, the increased polarity of the fixed ring O-atom and the ion-ion interaction in OPBF4 was responsible for lowering its conductivity. Oxygenated ionic compounds with alkyl groups had lower stability due to beta elimination between two electron withdrawing atoms. Volume based thermodynamics and quantum chemical calculations were used to calculate ion size, HOMO/LUMO energies, and free energy changes and establish relationship with capacitance, redox potential and melting points respectively. In addition free energy of fusion was used to predict the melting point. Ion size had correlation with capacitance due to compact double layer formation. Free energy changes did not explain the differences in melting point and predicted dielectric constant was inconsistent with the polarity. This is presumably due to using Van der Waals volume instead of crystal structure volume and insufficient incorporation of polarization term. The HOMO/LUMO energies gave direct relation between oxidation and reduction

  5. Demonstration of the difference Casimir force for samples with different charge carrier densities

    CERN Document Server

    Chen, F; Mohideen, U; Mostepanenko, V M

    2006-01-01

    A measurement of the Casimir force between a gold coated sphere and two Si plates of different carrier densities is performed using a high vacuum based atomic force microscope. The results are compared with the Lifshitz theory and good agreement is found. Our experiment demonstrates that by changing the carrier density of the semiconductor plate by several orders of magnitude it is possible to modify the Casimir interaction. This result may find applications in nanotechnology.

  6. Density-functional theory for fluid mixtures of charged chain particles and spherical counterions in contact with charged hard wall: Adsorption, double layer capacitance, and the point of zero charge.

    Science.gov (United States)

    Pizio, O; Bucior, K; Patrykiejew, A; Sokołowski, S

    2005-12-01

    We consider a density-functional theory to describe nonuniform fluids composed of chain molecules, containing a charged segment each, and spherical counterions. The chain molecules are modeled as freely jointed chains of hard spheres, the counterions are oppositely charged spheres of the same diameter as all segments of chain molecules. The theory is applied to study the structure of adsorbed layers, the excess adsorption isotherms, the capacitance of the double layer, and the potential of the zero charge. We show that all electric properties are strongly dependent on the length of the chain molecules. Moreover, these properties are also dependent on the position of the charged segment in the chain.

  7. 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.

  8. Superconductivity in the charge-density-wave state of the organic metal α- (BEDT-TTF)2 KHg (SCN)4

    Science.gov (United States)

    Andres, D.; Kartsovnik, M. V.; Biberacher, W.; Neumaier, K.; Schuberth, E.; Müller, H.

    2005-11-01

    The superconducting transition in the layered organic compound α-(BEDT-TTF)2KHg(SCN)4 has been studied in the two hydrostatic pressure regimes where a charge-density wave is either present or completely suppressed. Within the charge-density-wave state the experimental results reveal a network of weakly coupled superconducting regions. This is especially seen in a strong enhancement of the measured critical field and the corresponding positive curvature of its temperature dependence. Further, it is shown that on lowering the pressure into the density-wave state traces of a superconducting phase already start to appear at a much higher temperature.

  9. Fragmentation of amino acids induced by collisions with low-energy highly charged ions

    Science.gov (United States)

    Piekarski, D. G.; Maclot, S.; Domaracka, A.; Adoui, L.; Alcamí, M.; Rousseau, P.; Díaz-Tendero, S.; Huber, B. A.; Martín, F.

    2014-04-01

    Fragmentation of amino acids NH2-(CH2)n-COOH (n=1 glycine; n=2 β-alanine and n=3 γ-aminobutyric acid GABA) following collisions with slow highly charged ions has been studied in the gas phase by a combined experimental and theoretical approach. In the experiments, a multi-coincidence detection method was used to deduce the charge state of the molecules before fragmentation. Quantum chemistry calculations have been carried out in the basis of the density functional theory and ab initio molecular dynamics. The combination of both methodologies is essential to unambiguously unravel the different fragmentation pathways.

  10. d-Wave Superconductivity and s-Wave Charge Density Waves: Coexistence between Order Parameters of Different Origin and Symmetry

    Directory of Open Access Journals (Sweden)

    Alexander I. Voitenko

    2011-10-01

    Full Text Available A review of the theory describing the coexistence between d-wave superconductivity and s-wave charge-density-waves (CDWs is presented. The CDW gapping is identified with pseudogapping observed in high-Tc oxides. According to the cuprate specificity, the analysis is carried out for the two-dimensional geometry of the Fermi surface (FS. Phase diagrams on the σ0 − α plane—here, σ0 is the ratio between the energy gaps in the parent pure CDW and superconducting states, and the quantity 2α is connected with the degree of dielectric (CDW FS gapping—were obtained for various possible configurations of the order parameters in the momentum space. Relevant tunnel and photoemission experimental data for high-Tc oxides are compared with theoretical predictions. A brief review of the results obtained earlier for the coexistence between s-wave superconductivity and CDWs is also given.

  11. HITRAP: A Facility for Experiments with Trapped Highly Charged Ions

    Energy Technology Data Exchange (ETDEWEB)

    Quint, W.; Dilling, J. [GSI Darmstadt (Germany); Djekic, S. [Universitaet Mainz, Institut fuer Physik (Germany); Haeffner, H. [GSI Darmstadt (Germany); Hermanspahn, N. [Universitaet Mainz, Institut fuer Physik (Germany); Kluge, H.-J.; Marx, G. [GSI Darmstadt (Germany); Moore, R. [McGill University (Canada); Rodriguez, D.; Schoenfelder, J.; Sikler, G. [GSI Darmstadt (Germany); Valenzuela, T.; Verdu, J. [Universitaet Mainz, Institut fuer Physik (Germany); Weber, C. [GSI Darmstadt (Germany); Werth, G. [Universitaet Mainz, Institut fuer Physik (Germany)

    2001-01-15

    HITRAP is a planned ion trap facility for capturing and cooling of highly charged ions produced at GSI in the heavy-ion complex of the UNILAC-SIS accelerators and the ESR storage ring. In this facility heavy highly charged ions up to uranium will be available as bare nuclei, hydrogen-like ions or few-electron systems at low temperatures. The trap for receiving and studying these ions is designed for operation at extremely high vacuum by cooling to cryogenic temperatures. The stored highly charged ions can be investigated in the trap itself or can be extracted from the trap at energies up to about 10 keV/q. The proposed physics experiments are collision studies with highly charged ions at well-defined low energies (eV/u), high-accuracy measurements to determine the g-factor of the electron bound in a hydrogen-like heavy ion and the atomic binding energies of few-electron systems, laser spectroscopy of HFS transitions and X-ray spectroscopy.

  12. Thermodynamic and critical properties of the charge density wave system ErTe3

    Science.gov (United States)

    Saint-Paul, M.; Remenyi, G.; Guttin, C.; Lejay, P.; Monceau, P.

    2017-01-01

    We present specific heat and ultrasonic measurements on the rare earth tritelluride ErTe3 compound. Thermodynamic anomalies are observed at the upper charge density wave (CDW) phase transition TCDW1=265 K and the second one at TCDW2=155 K. Similar critical behaviors are found at both CDW phase transitions and that we tentatively described in terms of the 3D XY model. Different anisotropic stress dependences ∂TCDW1 / ∂σii and ∂TCDW2 / ∂σii are found at the two successive CDW phase transitions. Magnitude of the elastic constant anomalies at TCDW2 is ten times smaller than that at TCDW1. Anomalies in the elastic constants at the upper CDW TCDW1 exhibit two dimensional features in the layer planes while in contrast a three dimensional behavior is observed at TCDW2.

  13. $\\eta^\\prime$ meson mass from topological charge density correlator in QCD

    CERN Document Server

    Fukaya, H; Cossu, G; Hashimoto, S; Kaneko, T; Noaki, J

    2015-01-01

    The flavor-singlet component of the eta prime meson is related to the topological structure of the SU(3) gauge field through the chiral anomaly. We perform a 2+1-flavor lattice QCD calculation and demonstrate that the two-point function of a gluonically defined topological charge density after a short Yang-Mills gradient flow contains the propagation of the eta prime meson, by showing that its mass in the chiral and continuum limit is consistent with the experimental value. The gluonic correlator does not suffer from the contamination of the pion contribution, and the clean signal is obtained at significantly lower numerical cost compared to the conventional method with the quark bilinear operators.

  14. Charge density A probe for the nuclear interaction in microscopic transport models

    CERN Document Server

    Galíchet, E; Lecolley, J F; Bougault, R; Butà, A; Colin, J; Cussol, D; Durand, D; Guinet, D; Lautesse, P; Rivet, M F; Borderie, B; Auger, G; Bouriquet, B; Chbihi, A; Frankland, J D; Guiot, B; Hudan, S; Charvet, J L; Dayras, R; Lavaud, F; Neindre, N L; López, O; Manduci, L; Marie, J; Nalpas, L; Normand, J; Pârlog, M; Pawlowski, P; Plagnol, E; Rosato, E; Steckmeyer, J C; Tamain, B; Lauwe, A V; Vient, E; Volant, C; Wieleczko, J P

    2003-01-01

    The transport properties of the sup 3 sup 6 Ar+ sup 5 sup 8 Ni system at 95 A .MeV measured with the INDRA array, are studied within the BNV kinetic equation. A general protocol of comparison between the N-body experimental fragment information and the one-body distribution function is developed using global variables, with a special focus on charge density. This procedure avoids any definition of sources and any use of an afterburner in the simulation. We shall discuss the feasibility of such an approach and the distortions induced by the finite detection efficiency and the completeness requirements of the data selection. The sensitivity of the different global observables to the macroscopic parameters of the effective nuclear interaction will be studied in detail.

  15. First measurements of charge carrier density and mobility of in-situ enriched 28Si

    Science.gov (United States)

    Ramanayaka, A. N.; Dwyer, K. J.; Kim, Hyun-Soo; Stewart, M. D., Jr.; Pomeroy, J. M.

    Magnetotransport in top gated Hall bar devices is investigated to characterize the electrical properties of in-situ enriched 28Si. Isotopically enriched 28Si is an ideal candidate for quantum information processing devices as the elimination of unpaired nuclear spins improves the fidelity of the quantum information. Using mass filtered ion beam deposition we, in-situ, enrich and deposit epitaxial 28Si, achieving several orders of magnitude better enrichment compared to other techniques. In order to explore the electrical properties and optimize the growth conditions of in-situ enriched 28Si we perform magnetotransport measurements on top gated Hall bar devices at temperatures ranging from 300 K to cryogenic temperatures and at moderate magnetic fields. Here, we report on the charge carrier density and mobility extracted from such experiments, and will be compared among different growth conditions of in-situ enriched 28Si.

  16. Non-thermal separation of electronic and structural orders in a persisting charge density wave

    CERN Document Server

    Porer, M; Ménard, J -M; Dachraoui, H; Mouchliadis, L; Perakis, I E; Heinzmann, U; Demsar, J; Rossnagel, K; Huber, R

    2016-01-01

    The simultaneous ordering of different degrees of freedom in complex materials undergoing spontaneous symmetry-breaking transitions often involves intricate couplings that have remained elusive in phenomena as wide ranging as stripe formation, unconventional superconductivity or colossal magnetoresistance. Ultrafast optical, x-ray and electron pulses can elucidate the microscopic interplay between these orders by probing the electronic and lattice dynamics separately, but a simultaneous direct observation of multiple orders on the femtosecond scale has been challenging. Here we show that ultrabroadband terahertz pulses can simultaneously trace the ultrafast evolution of coexisting lattice and electronic orders. For the example of a charge-density-wave (CDW) in 1T-TiSe2, we demonstrate that two components of the CDW order parameter - excitonic correlations and a periodic lattice distortion (PLD) - respond very differently to 12-fs optical excitation. Even when the excitonic order of the CDW is quenched, the PL...

  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. Spin-charge and spin-orbital separations in density-functional theory

    CERN Document Server

    Vieira, Daniel

    2012-01-01

    It is known that the separation of electrons into spinons and chargons, the spin-charge separation, plays a decisive role when describing strongly correlated one-dimensional (1D) Friedel oscillations. Here, we extend the investigation by considering a third electron fractionalization: the separation into spinons and orbitons. Specifically, we deal with two exact constraints of exchange-correlation (XC) density-functionals: (i) The constancy of the highest occupied Kohn-Sham eigenvalues upon fractional electron numbers, and (ii) their discontinuities at integers. By means of 1D Hubbard chains, we show that spin-orbital separation can be decisive when dealing with derivative discontinuities of XC potentials, especially at strong correlations.

  19. Ground state of high-density matter

    Science.gov (United States)

    Copeland, ED; Kolb, Edward W.; Lee, Kimyeong

    1988-01-01

    It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.

  20. Nanotechnology for Synthetic High Density Lipoproteins

    Science.gov (United States)

    Luthi, Andrea J.; Patel, Pinal C.; Ko, Caroline H.; Mutharasan, R. Kannan; Mirkin, Chad A.; Thaxton, C. Shad

    2014-01-01

    Atherosclerosis is the disease mechanism responsible for coronary heart disease (CHD), the leading cause of death worldwide. One strategy to combat atherosclerosis is to increase the amount of circulating high density lipoproteins (HDL), which transport cholesterol from peripheral tissues to the liver for excretion. The process, known as reverse cholesterol transport, is thought to be one of the main reasons for the significant inverse correlation observed between HDL blood levels and the development of CHD. This article highlights the most common strategies for treating atherosclerosis using HDL. We further detail potential treatment opportunities that utilize nanotechnology to increase the amount of HDL in circulation. The synthesis of biomimetic HDL nanostructures that replicate the chemical and physical properties of natural HDL provides novel materials for investigating the structure-function relationships of HDL and for potential new therapeutics to combat CHD. PMID:21087901

  1. High power density carbonate fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Yuh, C.; Johnsen, R.; Doyon, J.; Allen, J. [Energy Research Corp., Danbury, CT (United States)

    1996-12-31

    Carbonate fuel cell is a highly efficient and environmentally clean source of power generation. Many organizations worldwide are actively pursuing the development of the technology. Field demonstration of multi-MW size power plant has been initiated in 1996, a step toward commercialization before the turn of the century, Energy Research Corporation (ERC) is planning to introduce a 2.85MW commercial fuel cell power plant with an efficiency of 58%, which is quite attractive for distributed power generation. However, to further expand competitive edge over alternative systems and to achieve wider market penetration, ERC is exploring advanced carbonate fuel cells having significantly higher power densities. A more compact power plant would also stimulate interest in new markets such as ships and submarines where space limitations exist. The activities focused on reducing cell polarization and internal resistance as well as on advanced thin cell components.

  2. 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.

  3. Central depressions in the charge density profiles of the nuclei around $^{46}$Ar

    CERN Document Server

    Song, Jun Ling; Long, Wen Hui

    2015-01-01

    The occurrence of the proton bubble-like structure has been studied within the relativistic Hartree-Fock-Bogoliubov (RHFB) and relativistic Hartree-Bogoliubov (RHB) theories by exploring the bulk properties, the charge density profiles and single proton spectra of argon isotopes and $N = 28$ isotones. It is found that the RHFB calculations with PKA1 effective interaction, which can properly reproduce the charge radii of argon isotopes and the $Z=16$ proton shell nearby, do not support the occurrence of the proton bubble-like structure in argon isotopes due to the prediction of deeper bound proton orbit $\\pi2s_{1/2}$ than $\\pi1d_{3/2}$. For $N = 28$ isotones, $^{42}$Si and $^{40}$Mg are predicted by both RHFB and RHB models to have the proton bubble-like structure, owing to the large gap between the proton $\\pi2s_{1/2}$ and $\\pi1d_{5/2}$ orbits, namely the $Z=14$ proton shell. Therefore, $^{42}$Si is proposed as the potential candidate of proton bubble nucleus, which has longer life-time than $^{40}$Mg.

  4. The amplitudes and the structure of the charge density wave in YBCO

    Science.gov (United States)

    Kharkov, Y. A.; Sushkov, O. P.

    2016-10-01

    We find unknown s- and d-wave amplitudes of the recently discovered charge density wave (CDW) in underdoped cuprates. To do so we perform a combined analysis of experimental data for ortho-II YBa2Cu3Oy. The analysis includes data on nuclear magnetic resonance, resonant inelastic X-ray scattering, and hard X-ray diffraction. The amplitude of doping modulation found in our analysis is 3.5 · 10‑3 in a low magnetic field and T = 60 K, the amplitude is 6.5 · 10‑3 in a magnetic field of 30T and T = 1.3 K. The values are in units of elementary charge per unit cell of a CuO2 plane. We show that the data rule out a checkerboard pattern, and we also show that the data might rule out mechanisms of the CDW which do not include phonons.

  5. Structure-dependent charge density as a determinant of antimicrobial activity of peptide analogues of defensin.

    Science.gov (United States)

    Bai, Yang; Liu, Shouping; Jiang, Ping; Zhou, Lei; Li, Jing; Tang, Charles; Verma, Chandra; Mu, Yuguang; Beuerman, Roger W; Pervushin, Konstantin

    2009-08-01

    Defensins are small (3-5 kDa) cysteine-rich cationic proteins found in both vertebrates and invertebrates constituting the front line of host innate immunity. Despite intensive research, bactericidal and cytotoxic mechanisms of defensins are still largely unknown. Moreover, we recently demonstrated that small peptides derived from defensins are even more potent bactericidal agents with less toxicity toward host cells. In this paper, structures of three C-terminal (R36-K45) analogues of human beta-defensin-3 were studied by 1H NMR spectroscopy and extensive molecular dynamics simulations. Because of indications that these peptides might target the inner bacterial membrane, they were reconstituted in dodecylphosphocholine or dodecylphosphocholine/1-palmitoyl-2-oleoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] mixed micelles, and lipid bicelles mimicking the phospholipid-constituted bilayer membrane of mammalian and bacterial cells. The results show that the binding affinity and partitioning into the lipid phase and the ability to dimerize and accrete well-defined structures upon interactions with lipid membranes contribute to compactization of positive charges within peptide oligomers. The peptide charge density, mediated by corresponding three-dimensional structures, was found to directly correlate with the antimicrobial activity. These novel observations may provide a new rationale for the design of improved antimicrobial agents.

  6. Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials.

    Science.gov (United States)

    Rauhalahti, Markus; Taubert, Stefan; Sundholm, Dage; Liégeois, Vincent

    2017-03-08

    Magnetically induced current density susceptibilities and ring-current strengths have been calculated for neutral and doubly charged persubstituted benzenes C6X6 and C6X6(2+) with X = F, Cl, Br, I, At, SeH, SeMe, TeH, TeMe, and SbH2. The current densities have been calculated using the gauge-including magnetically induced current (GIMIC) method, which has been interfaced to the Gaussian electronic structure code rendering current density calculations using effective core potentials (ECP) feasible. Relativistic effects on the ring-current strengths have been assessed by employing ECP calculations of the current densities. Comparison of the ring-current strengths obtained in calculations on C6At6 and C6At6(2+) using relativistic and non-relativistic ECPs show that scalar relativistic effects have only a small influence on the ring-current strengths. Comparisons of the ring-current strengths and ring-current profiles show that the C6I6(2+), C6At6(2+), C6(SeH)6(2+), C6(SeMe)6(2+), C6(TeH)6(2+), C6(TeMe)6(2+), and C6(SbH2)6(2+) dications are doubly aromatic sustaining spatially separated ring currents in the carbon ring and in the exterior of the molecule. The C6I6(+) radical cation is also found to be doubly aromatic with a weaker ring current than obtained for the dication.

  7. Electron capture by highly charged ions from surfaces and gases

    Energy Technology Data Exchange (ETDEWEB)

    Allen, F.

    2008-01-11

    In this study highly charged ions produced in Electron Beam Ion Traps are used to investigate electron capture from surfaces and gases. The experiments with gas targets focus on spectroscopic measurements of the K-shell x-rays emitted at the end of radiative cascades following electron capture into Rydberg states of Ar{sup 17+} and Ar{sup 18+} ions as a function of collision energy. The ions are extracted from an Electron Beam Ion Trap at an energy of 2 keVu{sup -1}, charge-selected and then decelerated down to 5 eVu{sup -1} for interaction with an argon gas target. For decreasing collision energies a shift to electron capture into low orbital angular momentum capture states is observed. Comparative measurements of the K-shell x-ray emission following electron capture by Ar{sup 17+} and Ar{sup 18+} ions from background gas in the trap are made and a discrepancy in the results compared with those from the extraction experiments is found. Possible explanations are discussed. For the investigation of electron capture from surfaces, highly charged ions are extracted from an Electron Beam Ion Trap at energies of 2 to 3 keVu{sup -1}, charge-selected and directed onto targets comprising arrays of nanoscale apertures in silicon nitride membranes. The highly charged ions implemented are Ar{sup 16+} and Xe{sup 44+} and the aperture targets are formed by focused ion beam drilling in combination with ion beam assisted thin film deposition, achieving hole diameters of 50 to 300 nm and aspect ratios of 1:5 to 3:2. After transport through the nanoscale apertures the ions pass through an electrostatic charge state analyzer and are detected. The percentage of electron capture from the aperture walls is found to be much lower than model predictions and the results are discussed in terms of a capillary guiding mechanism. (orig.)

  8. Detonation performance of high-dense BTF charges

    Science.gov (United States)

    Dolgoborodov, A.; Brazhnikov, M.; Makhov, M.; Gubin, S.; Maklashova, I.

    2014-05-01

    New experimental data on detonation wave parameters and explosive performance for benzotrifuroxan are presented. Optical pyrometry was applied in order to measure the temperature and pressure of BTF detonation products. Chapman-Jouguet temperature was obtained as 3990 - 4170 K (charge densities 1.82 - 1.84 g/cc). The heat of explosion and the acceleration ability were measured also. It is also considered the hypothesis of formation of nanodiamond particles in detonation products directly behind the detonation front and influence of these processes on the temperature-time history in detonation products.

  9. State selective capture by highly charged Xe ions

    NARCIS (Netherlands)

    Hasan, V. G.; Knoop, S.; Morgenstern, R.; Hoekstra, R.; McCullough, RW; Currell, FJ; Greenwood, J; Gribakin, G; Scott, MP

    2007-01-01

    Single-electron capture in collisions of highly charged ions Xe18+ and Xe24+ with Na atoms is investigated by measuring the momenta of the Na recoil ions. The Q-value spectrum in Xe18+ + Na collisions shows capture into lower n states compared with Classical over-barrier model (CBM) calculations.

  10. Collisions of Slow Highly Charged Ions with Surfaces

    OpenAIRE

    Burgdoerfer, J.; Lemell, C.; Schiessl, K.; Solleder, B.; Reinhold, C; Tokesi, K.; Wirtz, Ludger

    2006-01-01

    Progress in the study of collisions of multiply charged ions with surfaces is reviewed with the help of a few recent examples. They range from fundamental quasi-one electron processes to highly complex ablation and material modification processes. Open questions and possible future directions will be discussed.

  11. Transfer ionization in collisions with a fast highly charged ion.

    Science.gov (United States)

    Voitkiv, A B

    2013-07-26

    Transfer ionization in fast collisions between a bare ion and an atom, in which one of the atomic electrons is captured by the ion whereas another one is emitted, crucially depends on dynamic electron-electron correlations. We show that in collisions with a highly charged ion a strong field of the ion has a very profound effect on the correlated channels of transfer ionization. In particular, this field weakens (strongly suppresses) electron emission into the direction opposite (perpendicular) to the motion of the ion. Instead, electron emission is redirected into those parts of the momentum space which are very weakly populated in fast collisions with low charged ions.

  12. Measurement of Metastable Lifetimes of Highly-Charged Ions

    Science.gov (United States)

    Smith, Steven J.; Chutjian, A.; Lozano, J.

    2002-01-01

    The present work is part of a series of measurements of metastable lifetimes of highly-charged ions (HCIs) which contribute to optical absorption, emission and energy balance in the Interstellar Medium (ISM), stellar atmospheres, etc. Measurements were carried out using the 14-GHz electron cyclotron resonance ion source (ECRIS) at the JPL HCI facility. The ECR provides useful currents of charge states such as C(sup(1-6)+), Mg(sup(1-6)+) and Fe(sup(1-17)+). In this work the HCI beam is focused into a Kingdon electrostatic ion trap for measuring lifetimes via optical decays.

  13. Ions in mixed dielectric solvents: density profiles and osmotic pressure between charged interfaces.

    Science.gov (United States)

    Ben-Yaakov, Dan; Andelman, David; Harries, Daniel; Podgornik, Rudi

    2009-04-30

    The forces between charged macromolecules, usually given in terms of osmotic pressure, are highly affected by the intervening ionic solution. While in most theoretical studies the solution is treated as a homogeneous structureless dielectric medium, recent experimental studies concluded that, for a bathing solution composed of two solvents (binary mixture), the osmotic pressure between charged macromolecules is affected by the binary solvent composition. By adding local solvent composition terms to the free energy, we obtain a general expression for the osmotic pressure, in planar geometry and within the mean-field framework. The added effect is due to the permeability inhomogeneity and nonelectrostatic short-range interactions between the ions and solvents (preferential solvation). This effect is mostly pronounced at small distances and leads to a reduction in the osmotic pressure for macromolecular separations of the order 1-2 nm. Furthermore, it leads to a depletion of one of the two solvents from the charged macromolecules (modeled as planar interfaces). Lastly, by comparing the theoretical results with experimental ones, an explanation based on preferential solvation is offered for recent experiments on the osmotic pressure of DNA solutions.

  14. Electronic and atomic structures of the Sr3Ir4Sn13 single crystal: A possible charge density wave material

    Science.gov (United States)

    Wang, H.-T.; Srivastava, M. K.; Wu, C.-C.; Hsieh, S.-H.; Wang, Y.-F.; Shao, Y.-C.; Liang, Y.-H.; Du, C.-H.; Chiou, J.-W.; Cheng, C.-M.; Chen, J.-L.; Pao, C.-W.; Lee, J.-F.; Kuo, C. N.; Lue, C. S.; Wu, M.-K.; Pong, W.-F.

    2017-01-01

    X-ray scattering (XRS), x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine structure (EXAFS) spectroscopic techniques were used to study the electronic and atomic structures of the high-quality Sr3Ir4Sn13 (SIS) single crystal below and above the transition temperature (T* ≈ 147 K). The evolution of a series of modulated satellite peaks below the transition temperature in the XRS experiment indicated the formation of a possible charge density wave (CDW) in the (110) plane. The EXAFS phase derivative analysis supports the CDW-like formation by revealing different bond distances [Sn1(2)-Sn2] below and above T* in the (110) plane. XANES spectra at the Ir L3-edge and Sn K-edge demonstrated an increase (decrease) in the unoccupied (occupied) density of Ir 5d-derived states and a nearly constant density of Sn 5p-derived states at temperatures T atomic structures and the CDW-like phase in the SIS single crystal. PMID:28106144

  15. First principles study on the charge density and the bulk modulus of the transition metals and their carbides and nitrides

    Institute of Scientific and Technical Information of China (English)

    Li Cheng-Bin; Li Ming-Kai; Yin Dong; Liu Fu-Qing; Fan Xiang-Jun

    2005-01-01

    A first principles study of the electronic properties and bulk modulus (B0) of the fcc and bcc transition metals,transition metal carbides and nitrides is presented. The calculations were performed by plane-wave pseudopotential method in the framework of the density functional theory with local density approximation. The density of states and the valence charge densities of these solids are plotted. The results show that B0 does not vary monotonically when the number of the valence d electrons increases. B0 reaches a maximum and then decreases for each of the four sorts of solids. It is related to the occupation of the bonding and anti-bonding states in the solid. The value of the valence charge density at the midpoint between the two nearest metal atoms tends to be proportional to B0.

  16. Charge-Density-Excitation Spectrum in the t-t'-J-V Model

    Science.gov (United States)

    Greco, Andrés; Yamase, Hiroyuki; Bejas, Matías

    2017-03-01

    We study the density-density correlation function in a large-N scheme of the t-t'-J-V model. When the nearest-neighbor Coulomb interaction V is zero, our model exhibits phase separation in a wide doping region and we obtain large spectral weight near momentum q = (0,0) at low energy, which originates from the proximity to phase separation. These features are much stronger for electron doping than for hole doping. However, once phase separation is suppressed by including a finite V, the low-energy spectral weight around q = (0,0) is substantially suppressed. Instead a sharp zero-sound mode is stabilized above the particle-hole continuum. We discuss that the presence of a moderate value of V, which is frequently neglected in the t-J model, is important to understand low-energy charge excitations especially close to q = (0,0) for electron doping. This insight should be taken into account in a future study of x-ray scattering measurements.

  17. Abnormal high density lipoproteins in cerebrotendinous xanthomatosis

    Energy Technology Data Exchange (ETDEWEB)

    Shore, V. (Lawrence Livermore Lab., CA); Salen, G.; Cheng, F.W.; Forte, T.; Shefer, S.; Tint, G.S.

    1981-11-01

    The plasma lipoprotein profiles and high density lipoproteins (HDL) were characterized in patients with the genetic disease cerebrotendinous xanthomatosis (CTX). The mean HDL-cholesterol concentration in the CTX plasmas was 14.5 +/- 3.2 mg/dl, about one-third the normal value. The low HDL-cholesterol reflects a low concentration and an abnormal lipid composition of the plasma HDL. Relative to normal HDL, the cholesteryl esters are low, free cholesterol and phospholipids essentially normal, and triglycerides increased. The ratio of apoprotein (apo) to total cholesterol in the HDL of CTX was two to three times greater than normal. In the CTX HDL, the ratio of apoAI to apoAII was high, the proportion of apoC low, and a normally minor form of apoAI increased relative to other forms. The HDL in electron micrographs appeared normal morphologically and in particle size. The adnormalities in lipoprotein distribution profiles and composition of the plasma HDL result from metabolic defects that are not understood but may be linked to the genetic defect in bile acid synthesis in CTX. As a consequence, it is probable that the normal functions of the HDL, possibly including modulation of LDL-cholesterol uptake and the removal of excess cholesterol from peripheral tissues, are perturbed significantly in this disease.

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

    CERN Document Server

    Ke, Weiyao; Bernhard, Jonah E; Bass, Steffen A

    2016-01-01

    We study the initial three-dimensional spatial configuration of the quark-gluon plasma produced in relativistic heavy-ion collisions using centrality and rapidity-dependent measurements of charged particle pseudorapidity densities and two-particle correlations. A cumulant-generating function is used to parametrize the rapidity dependence of local entropy deposition and extend arbitrary boost-invariant initial conditions to nonzero beam rapidities. The model is compared to p+Pb and Pb+Pb single-particle distributions 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 two-particle rapidity correlations, the rapidity dependence of anisotropic flow, and event-plane decorrelations.

  19. Charged-Particle Thermonuclear Reaction Rates: II. Tables and Graphs of Reaction Rates and Probability Density Functions

    CERN Document Server

    Iliadis, Christian; Champagne, Art; Coc, Alain; Fitzgerald, Ryan

    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 series (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 {\\mu} and {\\sigma} 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 rat...

  20. A density functional theory investigation of charge mobility in titanyl-phthalocyanines and their tailored peripherally substituted complexes

    CERN Document Server

    De Lile, Jeffrey R

    2016-01-01

    Titanyl-phthalocyanines catalytic ability towards oxygen reduction is demonstrated in experimental literature. Our recent theoretical simulations revealed electronic structure origin of catalytic ability in peripherally and axially substituted triplet and singlet titanyl-phthalocyanines. However, the origin of high electron transfer ability to spontaneously reduce peroxide in chlorine substituted singlet complex and triplet state Ti(II)Pc complexes remain elusive. Thus, we performed density functional theory calculations to study Ti(IV)Pc and their tailored peripheral substituted complexes as representative compounds of titanyl-phthalocyanines for charge mobilities, reorganization energies and electronic couplings. In addition, oxo(phthalocyaninato)titanium(IV) (TiOPc) convex and concave compounds were investigated to benchmark the method. Based on the results, Reorganization energies of triplet state Ti(II)Pc and their tailored peripheral substituted complexes are compared with Ti(IV)Pc singlet complexes in ...

  1. 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

  2. Strong anharmonicity induces quantum melting of charge density wave in 2 H -NbSe2 under pressure

    Science.gov (United States)

    Leroux, Maxime; Errea, Ion; Le Tacon, Mathieu; Souliou, Sofia-Michaela; Garbarino, Gaston; Cario, Laurent; Bosak, Alexey; Mauri, Francesco; Calandra, Matteo; Rodière, Pierre

    2015-10-01

    The pressure and temperature dependence of the phonon dispersion of 2 H -NbSe2 is measured by inelastic x-ray scattering. A strong temperature dependent soft phonon mode, reminiscent of the charge density wave (CDW), is found to persist up to a pressure as high as 16 GPa, far above the critical pressure at which the CDW disappears at 0 K. By using ab initio calculations beyond the harmonic approximation, we obtain an accurate, quantitative description of the (P ,T ) dependence of the phonon spectrum. Our results show that the rapid destruction of the CDW under pressure is related to the zero mode vibrations—or quantum fluctuations—of the lattice renormalized by the anharmonic part of the lattice potential. The calculations also show that the low-energy longitudinal acoustic mode that drives the CDW transition barely contributes to superconductivity, explaining the insensitivity of the superconducting critical temperature to the CDW transition.

  3. Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms.

    Science.gov (United States)

    Van Aggelen, Helen; Bultinck, Patrick; Verstichel, Brecht; Van Neck, Dimitri; Ayers, Paul W

    2009-07-21

    The behaviour of diatomic molecules is examined using the variational second-order density matrix method under the P, Q and G conditions. It is found that the method describes the dissociation limit incorrectly, with fractional charges on the well-separated atoms. This can be traced back to the behaviour of the energy versus the number of electrons for the isolated atoms. It is shown that the energies for fractional charges are much too low.

  4. Linear and angular momentum of electromagnetic fields generated by an arbitrary distribution of charge and current densities at rest

    CERN Document Server

    Thidé, B; Then, H; Tamburini, F

    2010-01-01

    Starting from Stratton-Panofsky-Phillips-Jefimenko equations for the electric and magnetic fields generated by completely arbitrary charge and current density distributions at rest, we derive far-zone approximations for the fields, containing all components, dominant as well as sub-dominant. Using these approximate formulas, we derive general formulas for the total electromagnetic linear momentum and angular momentum, valid at large distances from arbitrary, non-moving charge and current sources.

  5. High Energy Density Capacitors for Pulsed Power Applications

    Science.gov (United States)

    2009-07-01

    high energy density energy storage capacitors. High efficency capacitors are available with energy densities as high as 3 J/cc for 1000 shots or...GENERAL ATOMICS ENERGY PRODUCTS Engineering Bulletin HIGH ENERGY DENSITY CAPACITORS FOR PULSED POWER APPLICATIONS Fred MacDougall, Joel...00-2009 4. TITLE AND SUBTITLE High Energy Density Capacitors for Pulsed Power Applications 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

  6. Effect of doping- and field-induced charge carrier density on the electron transport in nanocrystalline ZnO.

    Science.gov (United States)

    Hammer, Maria S; Rauh, Daniel; Lorrmann, Volker; Deibel, Carsten; Dyakonov, Vladimir

    2008-12-03

    The charge transport properties of thin films of sol-gel processed undoped and Al-doped zinc oxide nanoparticles with variable doping level between 0.8 and 10 at.% were investigated. The x-ray diffraction studies revealed a decrease of the average crystallite sizes in highly doped samples. We provide estimates of the conductivity and the resulting charge carrier densities with respect to the doping level. The increase of charge carrier density due to extrinsic doping was compared to the accumulation of charge carriers in field effect transistor structures. This allowed us to assess the scattering effects due to extrinsic doping on the electron mobility. The latter decreases from 4.6 × 10(-3) to 4.5 × 10(-4) cm(2) V(-1) s(-1) with increasing doping density. In contrast, the accumulation leads to an increasing mobility up to 1.5 × 10(-2) cm(2) V(-1) s(-1). The potential barrier heights related to grain boundaries between the crystallites were derived from temperature dependent mobility measurements. The extrinsic doping initially leads to a grain boundary barrier height lowering, followed by an increase due to doping-induced structural defects. We conclude that the conductivity of sol-gel processed nanocrystalline ZnO:Al is governed by an interplay of the enhanced charge carrier density and the doping-induced charge carrier scattering effects, achieving a maximum at 0.8 at.% in our case.

  7. Evidence for a Peierls phase-transition in a three-dimensional multiple charge-density waves solid.

    Science.gov (United States)

    Mansart, Barbara; Cottet, Mathieu J G; Penfold, Thomas J; Dugdale, Stephen B; Tediosi, Riccardo; Chergui, Majed; Carbone, Fabrizio

    2012-04-10

    The effect of dimensionality on materials properties has become strikingly evident with the recent discovery of graphene. Charge ordering phenomena can be induced in one dimension by periodic distortions of a material's crystal structure, termed Peierls ordering transition. Charge-density waves can also be induced in solids by strong coulomb repulsion between carriers, and at the extreme limit, Wigner predicted that crystallization itself can be induced in an electrons gas in free space close to the absolute zero of temperature. Similar phenomena are observed also in higher dimensions, but the microscopic description of the corresponding phase transition is often controversial, and remains an open field of research for fundamental physics. Here, we photoinduce the melting of the charge ordering in a complex three-dimensional solid and monitor the consequent charge redistribution by probing the optical response over a broad spectral range with ultrashort laser pulses. Although the photoinduced electronic temperature far exceeds the critical value, the charge-density wave is preserved until the lattice is sufficiently distorted to induce the phase transition. Combining this result with ab initio electronic structure calculations, we identified the Peierls origin of multiple charge-density waves in a three-dimensional system for the first time.

  8. Collision of highly charged ion with clusters. Simulation study for electronic systems

    Energy Technology Data Exchange (ETDEWEB)

    Yabana, Kazuhiro [Niigata Univ. (Japan)

    1997-05-01

    Collision of highly charged ion with cluster, for example, collision of C{sub 60}-Ar{sup 8+} at E=80 KeV, was simulated by the time-dependence Kohn-Shame equation. The distribution of electron densities and the self-consistent potential were obtained. A part of C{sub 60} potential curve became depressed by the Coulomb force of ion, so that the saddle point was produced on the potential. The behavior of electron transfer on the saddle point was agreed with the classical barrier model. Time-dependent density functional method was explained. (S.Y.)

  9. Transport studies of ions across polystyrene based composite membrane: Evaluation of fixed charge density using theoretical models

    Science.gov (United States)

    Imteyaz, Shahla; Rafiuddin

    2016-11-01

    Polystyrene (PS) dispersed tin molybdate (TM) composite was prepared by sol-gel method. The membrane was characterized for its thermal stability by TG-DTA. SEM reveals the formation of composite material with uniform surface morphology. Crystallinity and phosphorylation of the membrane was confirmed by X-RD and FT-IR. Membrane potential of different monovalent electrolytes with varying concentration followed the order LiCl > NaCl > NH4Cl > KCl. Membrane potential increases with dilution of electrolytes confirming it to be cation selective in nature. The theoretical value of fixed charge density for the membrane was also evaluated from membrane potential using different approaches proposed by (a) Teorell-Meyer-Sievers (b) Kobatake and (c) Nagasawa, which are comparable with the experimental values. Fixed charge density examined for the electrolytes follows the order LiCl > NaCl > NH4Cl > KCl. Li+ ion shows highest value of fixed charge density in all the methods as the Donnan exclusion is highest for the electrolyte of smaller cation size. Transport number and mobility ratio for ion selectivity also increases with dilution. Membrane shows the lowest permselectivity for K+ while highest for Li+. The strong binding affinity of K+ counter-ion with fixed charge groups on the polymer decreases the membrane charge density and permselectivity. Thus, the membrane shows its applicability in various electro-membrane processes.

  10. 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.

  11. Midrapidity inclusive densities in high energy pp collisions in additive quark model

    Science.gov (United States)

    Shabelski, Yu. M.; Shuvaev, A. G.

    2016-08-01

    High energy (CERN SPS and LHC) inelastic pp (pbar{p}) scattering is treated in the framework of the additive quark model together with Pomeron exchange theory. We extract the midrapidity inclusive density of the charged secondaries produced in a single quark-quark collision and investigate its energy dependence. Predictions for the π p collisions are presented.

  12. One-loop omega-potential of charged massive fields in a constant homogeneous magnetic field at high temperatures

    CERN Document Server

    Kalinichenko, I S

    2016-01-01

    The explicit expressions for the high-temperature expansions of the one-loop corrections to the omega-potential coming from the charged scalar and Dirac particles and, separately, from antiparticles in a constant homogeneous magnetic field are derived. The explicit expressions for the non-perturbative corrections to the effective action at finite temperature and density are obtained. The thermodynamic properties of a gas of charged scalars in a constant homogeneous magnetic field are analyzed in the one-loop approximation. It turns out that, in this approximation, the system suffers the first order phase transition from the diamagnetic to the superconducting state at sufficiently high densities. The improvement of the one-loop result by summing the ring diagrams is investigated. This improvement leads to a drastic change of the thermodynamic properties of the system. The gas of charged scalars passes to the ferromagnetic state in place of the superconducting one at high densities and sufficiently low temperat...

  13. Void structure and density change of vanadium-base alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.; Gazda, J. [Argonne National Lab., Chicago, IL (United States)] [and others

    1995-04-01

    The objective of this work is to determine void structure, distribution, and density changes of several promising vanadium-base alloys irradiated in the Dynamic Helium Charging Experiment (DHCE). Combined effects of dynamically charged helium and neutron damage on density change, void distribution, and microstructural evolution of V-4Cr-4Ti alloy have been determined after irradiation to 18-31 dpa at 425-600{degree}C in the DHCE, and the results compared with those from a non-DHCE in which helium generation was negligible.

  14. 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.

  15. Nanobiotechnology applications of reconstituted high density lipoprotein.

    Science.gov (United States)

    Ryan, Robert O

    2010-12-01

    High-density lipoprotein (HDL) plays a fundamental role in the Reverse Cholesterol Transport pathway. Prior to maturation, nascent HDL exist as disk-shaped phospholipid bilayers whose perimeter is stabilized by amphipathic apolipoproteins. Methods have been developed to generate reconstituted (rHDL) in vitro and these particles have been used in a variety of novel ways. To differentiate between physiological HDL particles and non-natural rHDL that have been engineered to possess additional components/functions, the term nanodisk (ND) is used. In this review, various applications of ND technology are described, such as their use as miniature membranes for solubilization and characterization of integral membrane proteins in a native like conformation. In other work, ND harboring hydrophobic biomolecules/drugs have been generated and used as transport/delivery vehicles. In vitro and in vivo studies show that drug loaded ND are stable and possess potent biological activity. A third application of ND is their use as a platform for incorporation of amphiphilic chelators of contrast agents, such as gadolinium, used in magnetic resonance imaging. Thus, it is demonstrated that the basic building block of plasma HDL can be repurposed for alternate functions.

  16. Photovoltaic retinal prosthesis with high pixel density

    Science.gov (United States)

    Mathieson, Keith; Loudin, James; Goetz, Georges; Huie, Philip; Wang, Lele; Kamins, Theodore I.; Galambos, Ludwig; Smith, Richard; Harris, James S.; Sher, Alexander; Palanker, Daniel

    2012-06-01

    Retinal degenerative diseases lead to blindness due to loss of the `image capturing' photoreceptors, while neurons in the `image-processing' inner retinal layers are relatively well preserved. Electronic retinal prostheses seek to restore sight by electrically stimulating the surviving neurons. Most implants are powered through inductive coils, requiring complex surgical methods to implant the coil-decoder-cable-array systems that deliver energy to stimulating electrodes via intraocular cables. We present a photovoltaic subretinal prosthesis, in which silicon photodiodes in each pixel receive power and data directly through pulsed near-infrared illumination and electrically stimulate neurons. Stimulation is produced in normal and degenerate rat retinas, with pulse durations of 0.5-4 ms, and threshold peak irradiances of 0.2-10 mW mm-2, two orders of magnitude below the ocular safety limit. Neural responses were elicited by illuminating a single 70 µm bipolar pixel, demonstrating the possibility of a fully integrated photovoltaic retinal prosthesis with high pixel density.

  17. Galaxy interactions II: High density environments

    CERN Document Server

    Alonso, Sol; Padilla, Nelson; Lambas, Diego G

    2011-01-01

    With the aim to assess the role of dense environments in galaxy interactions, properties we present an analysis of close galaxy pairs in groups and clusters, obtained from the Sloan Digital Sky Survey Data Release 7 (SDSS-DR7). We identified pairs that reside in groups by cross-correlating the total galaxy pair catalogue with the SDSS-DR7 group catalogue from Zapata et al. (2009). We classify pair galaxies according to the intensity of interaction. We analysed the effect of high density environments on different classes of galaxy-galaxy interactions and we have also studied the impact of the group global environment on pair galaxies. We find that galaxy pairs are more concentrated towards the group centres with respect to the other group galaxy members, and disturbed pairs show a preference to contain the brightest galaxy in the groups. The color-magnitude relation exhibits significant differences between pair galaxies and the control sample, consisting in color tails with a clear excess of extremely blue and...

  18. Strangeness production in high density baryon matter

    CERN Document Server

    Ganz, R E

    1999-01-01

    Strangeness production in heavy-ion collisions, when compared to proton proton collisions, is potentially a sensitive probe for collective energy deposition and therefore for reaction mechanisms in general. It may therefore provide insight into possible QGP formation in dense nuclear matter. To establish an understanding of the observed yields, a systematic study of high density baryon matter at different beam energies is essential. This might also reveal possible discontinuities in the energy dependence of the reaction mechanism. We present preliminary results for kaon production in Au+Au collisions at beam kinetic energies of 6, 8, and 10.7 GeV/u obtained by the E917 experiment at the AGS (BNL). These measurements complement those carried out by the E866 collaboration at 2, 4, and 10.7 GeV/u with a significantly enlarged data sample. In both experiments a large range of rapidities was covered by taking data at different angular settings of the magnetic spectrometer.

  19. High-density electroencephalography developmental neurophysiological trajectories.

    Science.gov (United States)

    Dan, Bernard; Pelc, Karine; Cebolla, Ana M; Cheron, Guy

    2015-04-01

    Efforts to document early changes in the developing brain have resulted in the construction of increasingly accurate structural images based on magnetic resonance imaging (MRI) in newborn infants. Tractography diagrams obtained through diffusion tensor imaging have focused on white matter microstructure, with particular emphasis on neuronal connectivity at the level of fibre tract systems. Electroencephalography (EEG) provides a complementary approach with more direct access to brain electrical activity. Its temporal resolution is excellent, and its spatial resolution can be enhanced to physiologically relevant levels, through the combination of high-density recordings (e.g. by using 64 channels in newborn infants) and mathematical models (e.g. inverse modelling computation), to identify generators of different oscillation bands and synchrony patterns. The integration of functional and structural topography of the neonatal brain provides insights into typical brain organization, and the deviations seen in particular contexts, for example the effect of hypoxic-ischaemic insult in terms of damage, eventual reorganization, and functional changes. Endophenotypes can then be used for pathophysiological reasoning, management planning, and outcome measurements, and allow a longitudinal approach to individual developmental trajectories. © The Authors. Journal compilation © 2015 Mac Keith Press.

  20. Electron impact ionization of highly charged lithiumlike ions

    Energy Technology Data Exchange (ETDEWEB)

    Wong, K L

    1992-10-01

    Electron impact ionization cross sections can provide valuable information about the charge-state and power balance of highly charged ions in laboratory and astrophysical plasmas. In the present work, a novel technique based on x-ray measurements has been used to infer the ionization cross section of highly charged lithiumlike ions on the Livermore electron beam ion trap. In particular, a correspondence is established between an observed x ray and an ionization event. The measurements are made at one energy corresponding to approximately 2.3 times the threshold energy for ionization of lithiumlike ions. The technique is applied to the transition metals between Z=22 (titanium, Ti[sup 19+]) and Z=26 (iron, Fe[sup 23+]) and to Z=56 (barium, Ba[sup 53+]). The results for the transition metals, which have an estimated 17-33% uncertainty, are in good overall agreement with a relativistic distorted-wave calculation. However, less good agreement is found for barium, which has a larger uncertainty. Methods for properly accounting for the polarization in the x-ray intensities and for inferring the charge-state abundances from x-ray observations, which were developed for the ionization measurements, as well as an x-ray model that assists in the proper interpretation of the data are also presented.

  1. Highly Charged Protein Ions: The Strongest Organic Acids to Date.

    Science.gov (United States)

    Zenaidee, Muhammad A; Leeming, Michael G; Zhang, Fangtong; Funston, Toby T; Donald, William A

    2017-07-10

    The basicity of highly protonated cytochrome c (cyt c) and myoglobin (myo) ions were investigated using tandem mass spectrometry, ion-molecule reactions (IMRs), and theoretical calculations as a function of charge state. Surprisingly, highly charged protein ions (HCPI) can readily protonate non-polar molecules and inert gases, including Ar, O2 , and N2 in thermal IMRs. The most HCPIs that can be observed are over 130 kJ mol(-1) less basic than the least basic neutral organic molecules known (tetrafluoromethane and methane). Based on theoretical calculations, it is predicted that protonated cyt c and myo ions should spontaneously lose a proton to vacuum for charge states in which every third residue is protonated. In this study, HCPIs are formed where every fourth residue on average is protonated. These results indicate that protein ions in higher charge states can be formed using a low-pressure ion source to reduce proton-transfer reactions between protein ions and gases from the atmosphere. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Chemical bonding and charge density distribution analysis of undoped and lanthanum doped barium titanate ceramics

    Indian Academy of Sciences (India)

    J MANGAIYARKKARASI; R SARAVANAN; MUKHLIS M ISMAIL

    2016-12-01

    A-site deficient, Lanthanum substituted Ba1−xLa2x/3TiO3 (x=0.000, 0.005, 0.015, 0.020 and 0.025) ceramics have been synthesized by chemical route. The effects of lanthanum dopant on the BaTiO3 lattice and the electron density distributions in the unit cell of the samples were investigated. Structural studies suggested the reduction in cell parameters and shrinkage in cell volume with the increase in lanthanum content. Chemical bonding and electron density distributions were examined through high resolution maximum entropy method (MEM). 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 large voids in between them.

  3. Density functional studies on wurtzite piezotronic transistors: influence of different semiconductors and metals on piezoelectric charge distribution and Schottky barrier.

    Science.gov (United States)

    Liu, Wei; Zhang, Aihua; Zhang, Yan; Wang, Zhong Lin

    2016-05-20

    The mechanical-electrical coupling properties of piezoelectric semiconductors endow these materials with novel device applications in microelectromechanical systems, sensors, human-computer interfaces, etc. When an applied strain is exerted on a piezoelectric semiconductor, piezoelectric charges are generated at the surface or interface of the semiconductor, which can be utilized to control the electronic transport characteristics. This is the fundamental working mechanism of piezotronic devices, called the piezotronic effect. In the present report, a series of piezotronic transistors composed of different electrode metals and semiconductors is examined using density functional theory calculation. It is found that the influence of semiconductors on the piezotronic effect is larger than the impact of metals, and GaN and CdS are promising candidates for piezotronic and piezo-phototronic devices, respectively. The width of the piezoelectric charge distribution obtained in the present study can be used as a parameter in classical finite-element-method based simulations, which provide guidance on designing high-performance piezotronic devices.

  4. Density functional studies on wurtzite piezotronic transistors: influence of different semiconductors and metals on piezoelectric charge distribution and Schottky barrier

    Science.gov (United States)

    Liu, Wei; Zhang, Aihua; Zhang, Yan; Wang, Zhong Lin

    2016-05-01

    The mechanical-electrical coupling properties of piezoelectric semiconductors endow these materials with novel device applications in microelectromechanical systems, sensors, human-computer interfaces, etc. When an applied strain is exerted on a piezoelectric semiconductor, piezoelectric charges are generated at the surface or interface of the semiconductor, which can be utilized to control the electronic transport characteristics. This is the fundamental working mechanism of piezotronic devices, called the piezotronic effect. In the present report, a series of piezotronic transistors composed of different electrode metals and semiconductors is examined using density functional theory calculation. It is found that the influence of semiconductors on the piezotronic effect is larger than the impact of metals, and GaN and CdS are promising candidates for piezotronic and piezo-phototronic devices, respectively. The width of the piezoelectric charge distribution obtained in the present study can be used as a parameter in classical finite-element-method based simulations, which provide guidance on designing high-performance piezotronic devices.

  5. Cryogenic linear Paul trap for cold highly charged ion experiments.

    Science.gov (United States)

    Schwarz, M; Versolato, O O; Windberger, A; Brunner, F R; Ballance, T; Eberle, S N; Ullrich, J; Schmidt, P O; Hansen, A K; Gingell, A D; Drewsen, M; López-Urrutia, J R Crespo

    2012-08-01

    Storage and cooling of highly charged ions require ultra-high vacuum levels obtainable by means of cryogenic methods. We have developed a linear Paul trap operating at 4 K capable of very long ion storage times of about 30 h. A conservative upper bound of the H(2) partial pressure of about 10(-15) mbar (at 4 K) is obtained from this. External ion injection is possible and optimized optical access for lasers is provided, while exposure to black body radiation is minimized. First results of its operation with atomic and molecular ions are presented. An all-solid state laser system at 313 nm has been set up to provide cold Be(+) ions for sympathetic cooling of highly charged ions.

  6. Cryogenic linear Paul trap for cold highly charged ion experiments

    DEFF Research Database (Denmark)

    Schwarz, Maria; Versolato, Oscar; Windberger, Alexander

    2012-01-01

    Storage and cooling of highly charged ions require ultra-high vacuum levels obtainable by means of cryogenic methods. We have developed a linear Paul trap operating at 4 K capable of very long ion storage times of about 30 h. A conservative upper bound of the H2 partial pressure of about 10−15 mbar...... (at 4 K) is obtained from this. External ion injection is possible and optimized optical access for lasers is provided, while exposure to black body radiation is minimized. First results of its operation with atomic and molecular ions are presented. An all-solid state laser system at 313 nm has been...... set up to provide cold Be+ ions for sympathetic cooling of highly charged ions....

  7. X-ray diffraction observations of a charge-density-wave order in superconducting ortho-II YBa2Cu3O6.54 single crystals in zero magnetic field

    DEFF Research Database (Denmark)

    Blackburn, E.; Chang, J.; Hücker, M.;

    2013-01-01

    X-ray diffraction measurements show that the high-temperature superconductor YBa2Cu3O6.54, with ortho-II oxygen order, has charge-density-wave order in the absence of an applied magnetic field. The dominant wave vector of the charge density wave is qCDW=(0,0.328(2),0.5), with the in-plane compone...

  8. 14 CFR 93.123 - High density traffic airports.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false High density traffic airports. 93.123... (CONTINUED) AIR TRAFFIC AND GENERAL OPERATING RULES SPECIAL AIR TRAFFIC RULES High Density Traffic Airports § 93.123 High density traffic airports. (a) Each of the following airports is designated as a...

  9. High-altitude atomic nitrogen densities

    Science.gov (United States)

    Oran, E. S.; Strobel, D. F.; Mauersberger, K.

    1978-01-01

    Theoretical calculations of the seasonal and diurnal variations of atomic nitrogen are compared with measurements made by the open source neutral mass spectrometer on the AE-C satellite. With the simultaneous measurements of molecular nitrogen and atomic oxygen densities as input, model calculations of odd nitrogen densities predict the same trends in atomic nitrogen as those observed. From these comparisons it is inferred that horizontal transport significantly reduces the diurnal variation of atomic nitrogen. Estimates are given of the sensitivity of atomic nitrogen densities to variations in the photoelectron flux, the neutral temperatures, and the neutral winds.

  10. Ferroelectric polymer networks with high energy density and improved discharged efficiency for dielectric energy storage.

    Science.gov (United States)

    Khanchaitit, Paisan; Han, Kuo; Gadinski, Matthew R; Li, Qi; Wang, Qing

    2013-01-01

    Ferroelectric polymers are being actively explored as dielectric materials for electrical energy storage applications. However, their high dielectric constants and outstanding energy densities are accompanied by large dielectric loss due to ferroelectric hysteresis and electrical conduction, resulting in poor charge-discharge efficiencies under high electric fields. To address this long-standing problem, here we report the ferroelectric polymer networks exhibiting significantly reduced dielectric loss, superior polarization and greatly improved breakdown strength and reliability, while maintaining their fast discharge capability at a rate of microseconds. These concurrent improvements lead to unprecedented charge-discharge efficiencies and large values of the discharged energy density and also enable the operation of the ferroelectric polymers at elevated temperatures, which clearly outperforms the melt-extruded ferroelectric polymer films that represents the state of the art in dielectric polymers. The simplicity and scalability of the described method further suggest their potential for high energy density capacitors.

  11. Time-dependent transition density matrix for visualizing charge-transfer excitations in photoexcited organic donor-acceptor systems

    Science.gov (United States)

    Li, Yonghui; Ullrich, Carsten

    2013-03-01

    The time-dependent transition density matrix (TDM) is a useful tool to visualize and interpret the induced charges and electron-hole coherences of excitonic processes in large molecules. Combined with time-dependent density functional theory on a real-space grid (as implemented in the octopus code), the TDM is a computationally viable visualization tool for optical excitation processes in molecules. It provides real-time maps of particles and holes which gives information on excitations, in particular those that have charge-transfer character, that cannot be obtained from the density alone. Some illustration of the TDM and comparison with standard density difference plots will be shown for photoexcited organic donor-acceptor molecules. This work is supported by NSF Grant DMR-1005651

  12. Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy.

    Science.gov (United States)

    Müller-Caspary, Knut; Krause, Florian F; Grieb, Tim; Löffler, Stefan; Schowalter, Marco; Béché, Armand; Galioit, Vincent; Marquardt, Dennis; Zweck, Josef; Schattschneider, Peter; Verbeeck, Johan; Rosenauer, Andreas

    2016-05-12

    This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10×10 available pixels.

  13. Modulated two-dimensional charge-carrier density in LaTiO3-layer-doped LaAlO3/SrTiO3 heterostructure.

    Science.gov (United States)

    Nazir, Safdar; Bernal, Camille; Yang, Kesong

    2015-03-11

    The highly mobile two-dimensional electron gas (2DEG) formed at the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) is a matter of great interest because of its potential applications in nanoscale solid-state devices. To realize practical implementation of the 2DEG in device design, desired physical properties such as tuned charge carrier density and mobility are necessary. In this regard, polar perovskite-based transition metal oxides can act as doping layers at the interface and are expected to tune the electronic properties of 2DEG of STO-based HS systems dramatically. Herein, we investigated the doping effects of LaTiO3(LTO) layers on the electronic properties of 2DEG at n-type (LaO)(+1)/(TiO2)(0) interface in the LAO/STO HS using spin-polarized density functional theory calculations. Our results indicate an enhancement of orbital occupation near the Fermi energy, which increases with respect to the number of LTO unit cells, resulting in a higher charge carrier density of 2DEG than that of undoped system. The enhanced charge carrier density is attributed to an extra electron introduced by the Ti 3d(1) orbitals from the LTO dopant unit cells. This conclusion is consistent with the recent experimental findings (Appl. Phys. Lett. 2013, 102, 091601). Detailed charge density and partial density of states analysis suggests that the 2DEG in the LTO-doped HS systems primarily comes from partially occupied dyz and dxz orbitals.

  14. 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...

  15. Study on High Efficient Electric Vehicle Wireless Charging System

    Science.gov (United States)

    Chen, H. X.; Liu, Z. Z.; Zeng, H.; Qu, X. D.; Hou, Y. J.

    2016-08-01

    Electric and unmanned is a new trend in the development of automobile, cable charging pile can not meet the demand of unmanned electric vehicle. Wireless charging system for electric vehicle has a high level of automation, which can be realized by unmanned operation, and the wireless charging technology has been paid more and more attention. This paper first analyses the differences in S-S (series-series) and S-P (series-parallel) type resonant wireless power supply system, combined with the load characteristics of electric vehicle, S-S type resonant structure was used in this system. This paper analyses the coupling coefficient of several common coil structure changes with the moving distance of Maxwell Ansys software, the performance of disc type coil structure is better. Then the simulation model is established by Simulink toolbox in Matlab, to analyse the power and efficiency characteristics of the whole system. Finally, the experiment platform is set up to verify the feasibility of the whole system and optimize the system. Based on the theoretical and simulation analysis, the higher charging efficiency is obtained by optimizing the magnetic coupling mechanism.

  16. Alternative Approaches to High Energy Density Fusion

    Science.gov (United States)

    Hammer, J.

    2016-10-01

    This paper explores selected approaches to High Energy Density (HED) fusion, beginning with discussion of ignition requirements at the National Ignition Facility (NIF). The needed improvements to achieve ignition are closely tied to the ability to concentrate energy in the implosion, manifested in the stagnation pressure, Pstag. The energy that must be assembled in the imploded state to ignite varies roughly as Pstag-2, so among other requirements, there is a premium on reaching higher Pstag to achieve ignition with the available laser energy. The U.S. inertial confinement fusion program (ICF) is pursuing higher Pstag on NIF through improvements to capsule stability and symmetry. One can argue that recent experiments place an approximate upper bound on the ultimate ignition energy requirement. Scaling the implosions consistently in spatial, temporal and energy scales shows that implosions of the demonstrated quality ignite robustly at 9-15 times the current energy of NIF. While lasers are unlikely to reach that bounding energy, it appears that pulsed-power sources could plausibly do so, giving a range of paths forward for ICF depending on success in improving energy concentration. In this paper, I show the scaling arguments then discuss topics from my own involvement in HED fusion. The recent Viewfactor experiments at NIF have shed light on both the observed capsule drive deficit and errors in the detailed modelling of hohlraums. The latter could be important factors in the inability to achieve the needed symmetry and energy concentration. The paper then recounts earlier work in Fast Ignition and the uses of pulsed-power for HED and fusion applications. It concludes with a description of a method for improving pulsed-power driven hohlraums that could potentially provide a factor of 10 in energy at NTF-like drive conditions and reach the energy bound for indirect drive ICF.

  17. High current density cathode for electrorefining in molten electrolyte

    Science.gov (United States)

    Li, Shelly X.

    2010-06-29

    A high current density cathode for electrorefining in a molten electrolyte for the continuous production and collection of loose dendritic or powdery deposits. The high current density cathode eliminates the requirement for mechanical scraping and electrochemical stripping of the deposits from the cathode in an anode/cathode module. The high current density cathode comprises a perforated electrical insulated material coating such that the current density is up to 3 A/cm.sup.2.

  18. High Performance Charge Breeder for HIE-ISOLDE and TSR@ISOLDE Applications

    CERN Document Server

    Shornikov, Andrey; Mertzig, Robert C; Pikin, Alexander; Wenander, Fredrik J C

    2015-01-01

    We report on the development of the HEC2 (High Energy Compression and Current) charge breeder, a possible high performance successor to REXEBIS at ISOLDE. The new breeder would match the performance of the HIE-ISOLDE linac upgrade and make full use of the possible installation of a storage ring at ISOLDE (the TSR@ISOLDE initiative [1]). Dictated by ion beam acceptance and capacity requirements, the breeder features a 2-3.5 A electron beam. In many cases very high charge states, including bare ions up to Z=70 and Li/Na-like up to Z=92 could be requested for experiments in the storage ring, therefore, electron beam energies up to 150 keV are required. The electron-beam current density needed for producing ions with such high charge states at an injection rate into TSR of 0.5-1 Hz is between 10 and 20 kA/cm2, which agrees with the current density needed to produce A/q<4.5 ions for the HIE-ISOLDE linac with a maximum repetition rate of 100 Hz. The first operation of a prototype electron gun with a pulsed elect...

  19. Progress in quantum electrodynamics theory of highly charged ions

    OpenAIRE

    Volotka, A. V.; Glazov, D. A.; Plunien, G.; Shabaev, V. M.

    2013-01-01

    Recent progress in quantum electrodynamics (QED) calculations of highly charged ions is reviewed. The theoretical predictions for the binding energies, the hyperfine splittings, and the g factors are presented and compared with available experimental data. Special attention is paid to tests of bound-state QED at strong field regime. Future prospects for tests of QED at the strongest electric and magnetic fields as well as for determination of the fine structure constant and the nuclear magnet...

  20. Progress in quantum electrodynamics theory of highly charged ions

    OpenAIRE

    Volotka, A. V.; Glazov, D. A.; Plunien, G.; Shabaev, V. M.

    2013-01-01

    Recent progress in quantum electrodynamics (QED) calculations of highly charged ions is reviewed. The theoretical predictions for the binding energies, the hyperfine splittings, and the g factors are presented and compared with available experimental data. Special attention is paid to tests of bound-state QED at strong field regime. Future prospects for tests of QED at the strongest electric and magnetic fields as well as for determination of the fine structure constant and the nuclear magnet...

  1. High Density Lipoprotein Metabolism in Man

    Science.gov (United States)

    Blum, Conrad B.; Levy, Robert I.; Eisenberg, Shlomo; Hall, Marshall; Goebel, Robert H.; Berman, Mones

    1977-01-01

    The turnover of 125I-high density lipoprotein (HDL) was examined in a total of 14 studies in eight normal volunteers in an attempt to determine the metabolic relationship between apolipoproteins A-I (apoA-I) and A-II (apoA-II) of HDL and to define further some of the determinants of HDL metabolism. All subjects were first studied under conditions of an isocaloric balanced diet (40% fat, 40% carbohydrate). Four were then studied with an 80% carbohydrate diet, and two were studied while receiving nicotinic acid (1 g three times daily) and ingesting the same isocaloric balanced diet. The decay of autologous 125I-HDL and the appearance of urinary radioactivity were followed for at least 2 wk in each study. ApoA-I and apoA-II were isolated by Sephadex G-200 chromatography from serial plasma samples in each study. The specific activities of these peptides were then measured directly. It was found that the decay of specific activity of apoA-I and apoA-II were parallel to one another in all studies. The mean half-life of the terminal portion of decay was 5.8 days during the studies with a balanced diet. Mathematical modeling of the decay of plasma radioactivity and appearance of urinary radioactivity was most consistent with a two-compartment model. One compartment is within the plasma and exchanges with a nonplasma component. Catabolism occurs from both of these compartments. With a balanced isocaloric diet, the mean synthetic rate for HDL protein was 8.51 mg/kg per day. HDL synthesis was not altered by the high carbohydrate diet and was only slightly decreased by nicotinic acid treatment. These perturbations had effects on HDL catabolic pathways that were reciprocal in many respects. With an 80% carbohydrate diet, the rate of catabolism from the plasma compartment rose by a mean of 39.1%; with nicotinic acid treatment, it fell by 42.2%. Changes in the rate of catabolism from the second compartment were generally opposite those in the rate of catabolism from the plasma

  2. The electrostatic interaction of an external charged system with a metal surface: a simplified density functional theory approach

    Science.gov (United States)

    Scivetti, Iván; Persson, Mats

    2013-09-01

    As a first step to meet the challenge to calculate the electronic structure and total energy of charged states of atoms and molecules adsorbed on ultrathin insulating films supported by a metallic substrate using density functional theory (DFT), we have developed a simplified new DFT scheme that only describes the electrostatic interaction of an external charged system with a metal surface. This purely electrostatic interaction is obtained from the assumption that the electron densities of the two fragments (charged system and metal surface) are non-overlapping and by neglecting non-local exchange-correlation effects such as the van der Waals interactions between the two fragments. In addition, the response of the metal surface to the electrostatic potential from the charged system is treated to linear order, whereas the charged system is treated fully within DFT. In particular, we consider the classical perfect conductor model for the metal response, although our formalism is not limited to this approximation. To test the computational implementation of this new scheme, we have considered the case of a Na+ cation interacting with a perfect conductor. The application of this new methodology to realistic problems involving charged systems adsorbed on insulating films supported by a metal surface are deferred to a separate following publication.

  3. First-principles studies on the charge density wave in uranium

    Science.gov (United States)

    Qiu, Ruizhi; Lu, Haiyan; Ao, Bingyun; Tang, Tao; Chen, Piheng

    2016-06-01

    The charge density wave (CDW) state of α-U (called {α1} -U) was studied through a first-principles total-energy minimization using the conjugate gradient algorithm. The optimized crystal structure of {α1} -U was found to have the space group Pbnm, which was proposed in the earlier Landau-type theory and is isostructural with the α-Np structure. In particular, the changes in the lattice parameters of Pbnm-U with respect to α-U are consistent with the experimental observations. In addition, the energetic stability of Pbnm-U with respect to α-U was confirmed by enthalpy calculations, and the value of the critical pressure in the pressure-induced quantum transition from Pbnm-U to α-U is in good agreement with the experimental result. Moreover, the phonon calculation verified the dynamical instability of α-U and the stability of Pbnm-U. Finally, the calculated electronic structures exhibit features of the CDW state.

  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. 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.

  6. Direct observation of many-body charge density oscillations in a two-dimensional electron gas

    Science.gov (United States)

    Sessi, Paolo; Silkin, Vyacheslav M.; Nechaev, Ilya A.; Bathon, Thomas; El-Kareh, Lydia; Chulkov, Evgueni V.; Echenique, Pedro M.; Bode, Matthias

    2015-10-01

    Quantum interference is a striking manifestation of one of the basic concepts of quantum mechanics: the particle-wave duality. A spectacular visualization of this effect is the standing wave pattern produced by elastic scattering of surface electrons around defects, which corresponds to a modulation of the electronic local density of states and can be imaged using a scanning tunnelling microscope. To date, quantum-interference measurements were mainly interpreted in terms of interfering electrons or holes of the underlying band-structure description. Here, by imaging energy-dependent standing-wave patterns at noble metal surfaces, we reveal, in addition to the conventional surface-state band, the existence of an `anomalous' energy band with a well-defined dispersion. Its origin is explained by the presence of a satellite in the structure of the many-body spectral function, which is related to the acoustic surface plasmon. Visualizing the corresponding charge oscillations provides thus direct access to many-body interactions at the atomic scale.

  7. Excluded volume effect of counterions and water dipoles near a highly charged surface due to a rotationally averaged Boltzmann factor for water dipoles.

    Science.gov (United States)

    Gongadze, Ekaterina; Iglič, Aleš

    2013-03-01

    Water ordering near a negatively charged electrode is one of the decisive factors determining the interactions of an electrode with the surrounding electrolyte solution or tissue. In this work, the generalized Langevin-Bikerman model (Gongadze-Iglič model) taking into account the cavity field and the excluded volume principle is used to calculate the space dependency of ions and water number densities in the vicinity of a highly charged surface. It is shown that for high enough surface charged densities the usual trend of increasing counterion number density towards the charged surface may be completely reversed, i.e. the drop in the counterions number density near the charged surface is predicted.

  8. Properties of Laser-Produced Highly Charged Heavy Ions for Direct Injection Scheme

    CERN Document Server

    Sakakibara, Kazuhiko; Hayashizaki, Noriyosu; Ito, Taku; Kashiwagi, Hirotsugu; Okamura, Masahiro

    2005-01-01

    To accelerate highly charged intense ion beam, we have developed the Direct Plasma Injection Scheme (DPIS) with laser ion source. In this scheme an ion beam from a laser ion source is injected directly to a RFQ linac without a low energy beam transport (LEBT) and the beam loss in the LEBT can be avoided. We achieved high current acceleration of carbon ions (60mA) by DPIS with the high current optimized RFQ. As the next setp we will use heavier elements like Ag, Pb, Al and Cu as target in LIS (using CO2, Nd-YAG or other laser) for DPIS and will examine properties of laser-produced plasma (the relationship of between charge state and laser power density, the current dependence of the distance from the target, etc).

  9. 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

    /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...

  10. Two-dimensional aligned-field magnetofluiddynamic flow. I Steady incompressible flow with non-zero charge density

    Science.gov (United States)

    Yin, W.-L.

    1984-04-01

    It is shown that, in the case of non-zero charge density, the class of steady, plane, incompressible, aligned-fluid magnetofluiddynamic flows contains no rotational motions. Therefore, this class of flows is exhausted by the irrotational solutions of Kingston and Power.

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

    NARCIS (Netherlands)

    M.M. Kettenis; L.G. Suttorp

    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

  12. EBIT spectroscopy of highly charged heavy ions relevant to hot plasmas

    Science.gov (United States)

    Nakamura, Nobuyuki

    2013-05-01

    An electron beam ion trap (EBIT) is a versatile device for studying highly charged ions. We have been using two types of EBITs for the spectroscopic studies of highly charged ions. One is a high-energy device called the Tokyo-EBIT, and another is a compact low-energy device called CoBIT. Complementary use of them enables us to obtain spectroscopic data for ions over a wide charge-state range interacting with electrons over a wide energy range. In this talk, we present EBIT spectra of highly charged ions for tungsten, iron, bismuth, etc., which are relevant to hot plasmas. Tungsten is considered to be the main impurity in the ITER (the next generation nuclear fusion reactor) plasma, and thus its emission lines are important for diagnosing and controlling the ITER plasma. We have observed many previously unreported lines to supply the lack of spectroscopic data of tungsten ions. Iron is one of the main components of the solar corona, and its spectra are used to diagnose temperature, density, etc. The diagnostics is usually done by comparing observed spectra with model calculations. An EBIT can provide spectra under a well-defined condition; they are thus useful to test the model calculations. Laser-produced bismuth plasma is one of the candidates for a soft x-ray source in the water window region. An EBIT has a narrow charge state distribution; it is thus useful to disentangle the spectra of laser-produced plasma containing ions with a wide charge-state range. Performed with the support and under the auspices of the NIFS Collaboration Research program (NIFS09KOAJ003) and JSPS KAKENHI Number 23246165, and partly supported by the JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics.

  13. Structural and electron charge density studies of a nonlinear optical compound 4,4 di-methyl amino cyano biphenyl

    Science.gov (United States)

    Naima, Boubegra; Abdelkader, Chouaih; Mokhtaria, Drissi; Fodil, Hamzaoui

    2014-01-01

    The 4,4 dimethyl amino cyano biphenyl crystal (DMACB) is characterized by its nonlinear activity. The intra molecular charge transfer of this molecule results mainly from the electronic transmission of the electro-acceptor (cyano) and electro-donor (di-methyl-amino) groups. An accurate electron density distribution around the molecule has been calculated based on a high-resolution X-ray diffraction study. The data were collected at 123 K using graphite-monochromated Mo K α radiation to sin(β)/λ = 1.24 Å-1. The integrated intensities of 13796 reflections were measured and reduced to 6501 independent reflections with I >= 3σ(I). The crystal structure was refined using the experimental model of Hansen and Coppens (1978). The crystal structure has been validated and deposited at the Cambridge Crystallographic Data Centre with the deposition number CCDC 876507. In this article, we present the thermal motion and the structural analysis obtained from the least-square refinement based on F2 and the electron density distribution obtained from the multipolar model.

  14. Splitting of the Ti-3d bands of TiSe2 in the charge-density wave phase

    Science.gov (United States)

    Ghafari, A.; Petaccia, L.; Janowitz, C.

    2017-02-01

    Very high resolution angular resolved photoemission (ARPES) spectra on TiSe2 in two distinct polarization geometries (vertical and horizontal) at temperatures between 300 K and 22 K enabled the observation of details of bands near the Fermi level not reported so far. Calculations of the electronic band structure based on density functional theory (DFT) using B3LYP hybrid functional and MBJ potential (with and without spin-orbit coupling) were performed to obtain the orbital symmetry and dispersion. Two degenerate conduction bands (CB's) were observed at the Γ-point, a weak CB- emission at the A-point, and two non degenerate CB's (i.e. splitting of CB) at the M/L-point of the Brillouin Zone (BZ). The splitting was detected at L for both polarizations, while at M remarkably only for horizontal polarization. These results cannot be fully accounted for by current theories for the charge density wave (CDW) and point to a reduced symmetry of the electronic states, possibly due to the chiral CDW.

  15. Discriminating between Metallic and Semiconducting Single-Walled Carbon Nanotubes Using Physisorbed Adsorbates: Role of Wavelike Charge-Density Fluctuations

    Science.gov (United States)

    Gao, Wang; Chen, Yun; Jiang, Qing

    2016-12-01

    Discriminating between metallic (M ) and semiconducting (S ) single-walled carbon nanotubes (SWNTs) remains a fundamental challenge in the field of nanotechnology. We address this issue by studying the adsorption of the isotropic atoms Xe, Kr, and a highly anisotropic molecule n heptane on M - and S -SWNTs with density functional theory that includes many-body dispersion forces. We find that the distinct polarizabilities of M - and S -SWNTs exhibit significantly different physisorption properties, which are also strongly controlled by the SWNT's diameter, adsorption site, adsorbate coverage, and the adsorbate's anisotropy. These findings stem from the wavelike nature of charge-density fluctuations in SWNTs. Particularly, these results allow us to rationalize the unusual √{3 }×√{3 }R 3 00 phase of Kr atoms on small gap M -SWNTs and the double desorption peak temperatures of n heptane on M -SWNTs in experiments, and also propose the n heptane as an effective sensor for experimentally discriminating M - and S -SWNTs.

  16. Molecular electronegativity in density functional theory(Ⅷ)——Charge polarization modes in a closed system

    Institute of Scientific and Technical Information of China (English)

    杨忠志; 王长生

    2000-01-01

    Based on the density functional theory and the atom-bond electronegativity equalization model (ABEEM), a method is proposed to construct the softness matrix and to obtain the electron population normal modes (PNMs) for a closed system. Using this method the information about the bond charge polarization in a molecule can be obtained easily. The test calculation shows that the PNM obtained by this method includes all the modes about the bond charge polarization explicitly. And the bond charge polarization mode characterized by the biggest eigenvalue, which is the softest one of all modes related with chemical bonds, can describe the charge polarization process in a molecule as exquisitely as the corresponding ab initio method.

  17. Effect of reduction of trap charge carrier density in organic field effect transistors by surface treatment of dielectric layer

    Energy Technology Data Exchange (ETDEWEB)

    Dagar, Janardan; Yadav, Vandana; Kumar Singh, Rajiv; Suman, C. K.; Srivastava, Ritu, E-mail: ritu@mail.nplindia.org [Physics of Energy Harvesting Division, CSIR-National Physical Laboratory, CSIR-Network of Institute for Solar Energy (NISE), Dr. K.S.Krishnan Road, New Delhi 110012 (India); Tyagi, Priyanka [Physics of Energy Harvesting Division, CSIR-National Physical Laboratory, CSIR-Network of Institute for Solar Energy (NISE), Dr. K.S.Krishnan Road, New Delhi 110012 (India); Center for Applied Research in Electronics, Indian Institute of Technology Delhi, New Delhi 110016 (India)

    2013-12-14

    In this work, we have studied the effect of surface treatment of SiO{sub 2} dielectric layer on the reduction of the trap charge carrier density at dielectric/semiconducting interface by fabricating a metal–insulator–semiconductor (MIS) device using α, ω-dihexylcarbonylquaterthiophene as semiconducting layer. SiO{sub 2} dielectric layer has been treated with 1,1,1,3,3,3-hexamethyldisilazane (HMDS) to modify the chemical group acting as charge traps. Capacitance-voltage measurements have been performed on MIS devices fabricated on SiO{sub 2} and HMDS treated SiO{sub 2}. These data have been used for the calculation of trap charge carrier density and Debye length at the dielectric-semiconductor interface. The calculated trap charge carrier density has been found to reduce from (2.925 ± 0.049) × 10{sup 16} cm{sup −3} to (2.025 ± 0.061) × 10{sup 16} cm{sup −3} for the MIS device with HMDS treated SiO{sub 2} dielectric in comparison to that of untreated SiO{sub 2}. Next, the effect of reduction in trap charge carrier density has been studied on the performance of organic field effect transistors. The improvement in the device parameters like mobility, on/off ratio, and gate leakage current has been obtained with the effect of the surface treatment. The charge carrier mobility has been improved by a factor of 2 through this treatment. Further, the influence of the treatment was observed by atomic force microscope and Fourier transform infrared spectroscopy techniques.

  18. Nonlinear relaxation field in charged systems under high electric fields

    Energy Technology Data Exchange (ETDEWEB)

    Morawetz, K

    2000-07-01

    The influence of an external electric field on the current in charged systems is investigated. The results from the classical hierarchy of density matrices are compared with the results from the quantum kinetic theory. The kinetic theory yields a systematic treatment of the nonlinear current beyond linear response. To this end the dynamically screened and field-dependent Lenard-Balescu equation is integrated analytically and the nonlinear relaxation field is calculated. The classical linear response result known as Debye - On-Sager relaxation effect is only obtained if asymmetric screening is assumed. Considering the kinetic equation of one specie the other species have to be screened dynamically while the screening with the same specie itself has to be performed statically. Different other approximations are discussed and compared. (author)

  19. Study on charge equilibration time of highly charged ions in carbon foils

    Institute of Scientific and Technical Information of China (English)

    Fang Yan; Xiao Guo-Qing; Xu Hu-Shan; Sun Zhi-Yu; Zhao Yong-Wao; Hu Zheng-Guo; Xu Hua-Gen; Huang Wian-Heng; Wang Yu-Yu

    2008-01-01

    Charge state distribution of 0.8MeV/u uranium ions after transmission through a thin carbon foil has been studied.It is observed that the charge state distribution is equilibrated after the uranium ions have passed through a 15 μg/cm2 carbon foil.The equilibrated average charge state is 33.72 and the charge equilibration time of uranium ions in carbon foil is less than 5.4fs.

  20. Variable kernel density estimation in high-dimensional feature spaces

    CSIR Research Space (South Africa)

    Van der Walt, Christiaan M

    2017-02-01

    Full Text Available Estimating the joint probability density function of a dataset is a central task in many machine learning applications. In this work we address the fundamental problem of kernel bandwidth estimation for variable kernel density estimation in high...

  1. Observable to explore high density behaviour of symmetry energy

    CERN Document Server

    Sood, Aman D

    2011-01-01

    We aim to see the sensitivity of collective transverse in-plane flow to symmetry energy at low as well as high densities and also to see the effect of different density dependencies of symmetry energy on the same.

  2. Synchrotron radiation absorber for high density loads

    Science.gov (United States)

    Anashin, V. V.; Kuzminych, V. S.; Trakhtenberg, E. M.; Zholents, A. A.

    1991-10-01

    A design of a special synchrotron radiation absorber for the storage ring VEPP-4M is presented. The density of the synchrotron radiation power on the absorber surface is up to 500 W/mm 2. The absorber is made from a beryllium plate, brazed inside to the copper vacuum chamber, which is intensively water-cooled from outside.

  3. An electrostatic deceleration lens for highly charged ions.

    Science.gov (United States)

    Rajput, J; Roy, A; Kanjilal, D; Ahuja, R; Safvan, C P

    2010-04-01

    The design and implementation of a purely electrostatic deceleration lens used to obtain beams of highly charged ions at very low energies is presented. The design of the lens is such that it can be used with parallel as well as diverging incoming beams and delivers a well focused low energy beam at the target. In addition, tuning of the final energy of the beam over a wide range (1 eV/q to several hundred eV/q, where q is the beam charge state) is possible without any change in hardware configuration. The deceleration lens was tested with Ar(8+), extracted from an electron cyclotron resonance ion source, having an initial energy of 30 keV/q and final energies as low as 70 eV/q have been achieved.

  4. Charge-state-dependent energy loss of slow ions. I. Experimental results on the transmission of highly charged ions

    Science.gov (United States)

    Wilhelm, Richard A.; Gruber, Elisabeth; Smejkal, Valerie; Facsko, Stefan; Aumayr, Friedrich

    2016-05-01

    We report on energy loss measurements of slow (v ≪v0 ), highly charged (Q >10 ) ions upon transmission through a 1-nm-thick carbon nanomembrane. We emphasize here the scaling of the energy loss with the velocity and charge exchange or loss. We show that a weak linear velocity dependence exists, whereas charge exchange dominates the kinetic energy loss, especially in the case of a large charge capture. A universal scaling of the energy loss with the charge exchange and velocity is found and discussed in this paper. A model for charge-state-dependent energy loss for slow ions is presented in paper II in this series [R. A. Wilhelm and W. Möller, Phys. Rev. A 93, 052709 (2016), 10.1103/PhysRevA.93.052709].

  5. High density and high temperature plasmas in Large Helical Device

    Science.gov (United States)

    Komori, Akio

    2010-11-01

    Recently a new confinement regime called Super Dense Core (SDC) mode was discovered in Large Helical Device (LHD). An extremely high density core region with more than ~ 1 × 1021 m-3 is obtained with the formation of an Internal Diffusion Barrier (IDB). The density gradient at the IDB is very high and the particle confinement in the core region is ~ 0.2 s. It is expected, for the future reactor, that the IDB-SDC mode has a possibility to achieve the self-ignition condition with lower temperature than expected before. Conventional approaches to increase the temperature have also been tried in LHD. For the ion heating, the perpendicular neutral beam injection effectively increased the ion temperature up to 5.6 keV with the formation of the internal transport barrier (ITB). In the electron heating experiments with 77 GHz gyrotrons, the highest electron temperature more than 15 keV was achieved, where plasmas are in the neoclassical regime.

  6. High density and high temperature plasmas in Large Helical Device

    Energy Technology Data Exchange (ETDEWEB)

    Komori, Akio, E-mail: komori@LHD.nifs.ac.jp [National Institute for Fusion Science, 322-6 Oroshi, Toki, Gifu 509-5292 (Japan)

    2010-11-01

    Recently a new confinement regime called Super Dense Core (SDC) mode was discovered in Large Helical Device (LHD). An extremely high density core region with more than {approx} 1 x 10{sup 21} m{sup -3} is obtained with the formation of an Internal Diffusion Barrier (IDB). The density gradient at the IDB is very high and the particle confinement in the core region is {approx} 0.2 s. It is expected, for the future reactor, that the IDB-SDC mode has a possibility to achieve the self-ignition condition with lower temperature than expected before. Conventional approaches to increase the temperature have also been tried in LHD. For the ion heating, the perpendicular neutral beam injection effectively increased the ion temperature up to 5.6 keV with the formation of the internal transport barrier (ITB). In the electron heating experiments with 77 GHz gyrotrons, the highest electron temperature more than 15 keV was achieved, where plasmas are in the neoclassical regime.

  7. Highly Compressed Ion Beams for High Energy Density Science

    CERN Document Server

    Friedman, Alex; Briggs, Richard J; Callahan, Debra; Caporaso, George; Celata, C M; Davidson, Ronald C; Faltens, Andy; Grant-Logan, B; Grisham, Larry; Grote, D P; Henestroza, Enrique; Kaganovich, Igor D; Lee, Edward; Lee, Richard; Leitner, Matthaeus; Nelson, Scott D; Olson, Craig; Penn, Gregory; Reginato, Lou; Renk, Tim; Rose, David; Sessler, Andrew M; Staples, John W; Tabak, Max; Thoma, Carsten H; Waldron, William; Welch, Dale; Wurtele, Jonathan; Yu, Simon

    2005-01-01

    The Heavy Ion Fusion Virtual National Laboratory (HIF-VNL) is developing the intense ion beams needed to drive matter to the High Energy Density (HED) regimes required for Inertial Fusion Energy (IFE) and other applications. An interim goal is a facility for Warm Dense Matter (WDM) studies, wherein a target is heated volumetrically without being shocked, so that well-defined states of matter at 1 to 10 eV are generated within a diagnosable region. In the approach we are pursuing, low to medium mass ions with energies just above the Bragg peak are directed onto thin target "foils," which may in fact be foams or "steel wool" with mean densities 1% to 100% of solid. This approach complements that being pursued at GSI, wherein high-energy ion beams deposit a small fraction of their energy in a cylindrical target. We present the requirements for warm dense matter experiments, and describe suitable accelerator concepts, including novel broadband traveling wave pulse-line, drift-tube linac, RF, and single-gap approa...

  8. Development of high temperature superconductors having high critical current density

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Gye Wong; Kim, C. J.; Lee, H.G.; Kwon, S. C.; Lee, H. J.; Kim, K. B.; Park, J. Y.; Jung, C. H

    2000-08-01

    Fabrication of high T{sub c} superconductors and its applications for electric power device were carried out for developing superconductor application technologies. High quality YBCO superconductors was fabricated by melt texture growth, top-seeded melt growth process and multi-seeded melt growth process and the properties was compared. The critical current density of the melt processed YBCO superconductors was about few 10,000 A/cm{sup 2} and the levitation force was 50 N. The processing time needed for the growth of the 123 single grain was greatly reduced by applying multi-seeding without no significant degradation of the levitation force. The multi-seeded melt growth process was confirmed as a time-saving and cost-effective method for the fabrication of bulk superconductors with controlled crystallographic orientation.

  9. High-Power-Density Organic Radical Batteries.

    Science.gov (United States)

    Friebe, Christian; Schubert, Ulrich S

    2017-02-01

    Batteries that are based on organic radical compounds possess superior charging times and discharging power capability in comparison to established electrochemical energy-storage technologies. They do not rely on metals and, hence, feature a favorable environmental impact. They furthermore offer the possibility of roll-to-roll processing through the use of different printing techniques, which enables the cost-efficient fabrication of mechanically flexible devices. In this review, organic radical batteries are presented with the focus on the hitherto developed materials and the key properties thereof, e.g., voltage, capacity, and cycle life. Furthermore, basic information, such as significant characteristics, housing approaches, and applied additives, are presented and discussed in the context of organic radical batteries.

  10. Multiple charge density wave transitions in the antiferromagnets R NiC2 (R =Gd ,Tb)

    Science.gov (United States)

    Shimomura, S.; Hayashi, C.; Hanasaki, N.; Ohnuma, K.; Kobayashi, Y.; Nakao, H.; Mizumaki, M.; Onodera, H.

    2016-04-01

    X-ray scattering and electrical resistivity measurements were performed on GdNiC2 and TbNiC2. We found a set of satellite peaks characterized by q1=(0.5 ,η ,0 ) below T1, at which the resistivity shows a sharp inflection, suggesting the charge density wave (CDW) formation. The value of η decreases with decreasing temperature below T1, and then a transition to a commensurate phase with q1 C=(0.5 ,0.5 ,0 ) takes place. The diffuse scattering observed above T1 indicates the presence of soft phonon modes associated with CDW instabilities at q1 and q2=(0.5 ,0.5 ,0.5 ) . The long-range order given by q2 is developed in addition to that given by q1 C in TbNiC2, while the short-range correlation with q2 persists even at 6 K in GdNiC2. The amplitude of the q1 C lattice modulation is anomalously reduced below an antiferromagnetic transition temperature TN in GdNiC2. In contrast, the q2 order vanishes below TN in TbNiC2. We demonstrate that R NiC2 (R = rare earth) compounds exhibit similarities with respect to their CDW phenomena, and discuss the effects of magnetic transitions on CDWs. We offer a possible displacement pattern of the modulated structure characterized by q1 C and q2 in terms of frustration.

  11. 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.

  12. High-Density Plasma Reactors: Simulations for Design

    Science.gov (United States)

    Hash, David B.; Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

    1998-01-01

    The development of improved and more efficient plasma reactors is a costly process for the semiconductor industry. Until five years ago, the Industry made most of its advancements through a trial and error approach. More recently, the role of computational modeling in the design process has increased. Both conventional computational fluid dynamics (CFD) techniques like Navier-Stokes solvers as well as particle simulation methods are used to model plasma reactor flowfields. However, since high-density plasma reactors generally operate at low gas pressures on the order of 1 to 10 mTorr, a particle simulation may be necessary because of the failure of CFD techniques to model rarefaction effects. The direct simulation Monte Carlo method is the most widely accepted and employed particle simulation tool and has previously been used to investigate plasma reactor flowfields. A plasma DSMC code is currently under development at NASA Ames Research Center with its foundation as the object-oriented parallel Cornell DSMC code, MONACO. The present investigation is a follow up of a neutral flow investigation of the effects of process parameters as well as reactor design on etch rate and etch rate uniformity. The previous work concentrated on silicon etch of a chlorine flow in a configuration typical of electron cyclotron resonance (ECR) or helical resonator type reactors. The effects of the plasma on the dissociation chemistry were modeled by making assumptions about the electron temperature and number density. The electrons or ions themselves were not simulated.The present work extends these results by simulating the charged species.The electromagnetic fields are calculated such that power deposition is modeled self-consistently. Electron impact reactions are modeled along with mechanisms for charge exchange. An bipolar diffusion assumption is made whereby electrons remain tied to the ions. However, the velocities of tile electrons are allowed to be modified during collisions

  13. Evaluation of intramolecular charge transfer state of 4-, -dimethylamino cinnamaldehyde using time-dependent density functional theory

    Indian Academy of Sciences (India)

    Surajit Ghosh; K V S Girish; Subhadip Ghosh

    2013-07-01

    Intramolecular charge transfer of 4-,-dimethylamino cinnamaldehyde (DMACA) in vacuum and in five different aprotic solvents has been studied by using time-dependent density functional theory (TDDFT). Polarizable continuum model (PCM) was employed to consider solvent-solute interactions. The potential energy curves were constructed at different torsional angle of ,-dimethylamino moiety with respect to the adjacent phenyl ring. A large bathochromic shift in our calculated emission and absorption energies for polar solvents is a clear reminiscent of charge transfer nature of the excited state. Finally, the reported results are in agreement with experimental findings.

  14. Form factors and transverse charge and magnetization densities in the hard-wall AdS/QCD model

    CERN Document Server

    Mondal, Chandan

    2016-01-01

    We present a study of the flavor form factors in the framework of a hard-wall AdS/QCD model and compare with the available experimental data. We obtain the flavor form factors by decomposing the Dirac and Pauli form factors for the nucleons using the charge and isospin symmetry. Further, we present a detailed study of the flavor structures of the charge and anomalous magnetization densities in the transverse plane. Both the unpolarized and the transversely polarized nucleons are considered here. We compare the AdS/QCD results with two standard phenomenological parametrizations.

  15. Sputtered thin films for high density tape recording

    NARCIS (Netherlands)

    Nguyen, L.T.

    This thesis describes the investigation of sputtered thin film media for high density tape recording. As discussed in Chapter 1, to meet the tremendous demand of data storage, the density of recording tape has to be increased continuously. For further increasing the bit density the key factors are:

  16. Sputtered thin films for high density tape recording

    NARCIS (Netherlands)

    Nguyen, L.T.

    2004-01-01

    This thesis describes the investigation of sputtered thin film media for high density tape recording. As discussed in Chapter 1, to meet the tremendous demand of data storage, the density of recording tape has to be increased continuously. For further increasing the bit density the key factors are:

  17. Charge deep-level transient spectroscopy study of high-energy-electron-beam-irradiated hydrogenated amorphous silicon

    NARCIS (Netherlands)

    Klaver, A.; Nádaždy, V.; Zeman, M.; Swaaiij, R.A.C.M.M.

    2006-01-01

    We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the

  18. Nanoscale femtosecond imaging of transient hot solid density plasmas with elemental and charge state sensitivity using resonant coherent diffraction

    Science.gov (United States)

    Kluge, T.; Bussmann, M.; Chung, H.-K.; Gutt, C.; Huang, L. G.; Zacharias, M.; Schramm, U.; Cowan, T. E.

    2016-03-01

    Here, we propose to exploit the low energy bandwidth, small wavelength, and penetration power of ultrashort pulses from XFELs for resonant Small Angle Scattering (SAXS) on plasma structures in laser excited plasmas. Small angle scattering allows to detect nanoscale density fluctuations in forward scattering direction. Typically, the SAXS signal from laser excited plasmas is expected to be dominated by the free electron distribution. We propose that the ionic scattering signal becomes visible when the X-ray energy is in resonance with an electron transition between two bound states (resonant coherent X-ray diffraction). In this case, the scattering cross-section dramatically increases so that the signal of X-ray scattering from ions silhouettes against the free electron scattering background which allows to measure the opacity and derived quantities with high spatial and temporal resolution, being fundamentally limited only by the X-ray wavelength and timing. Deriving quantities such as ion spatial distribution, charge state distribution, and plasma temperature with such high spatial and temporal resolution will make a vast number of processes in shortpulse laser-solid interaction accessible for direct experimental observation, e.g., hole-boring and shock propagation, filamentation and instability dynamics, electron transport, heating, and ultrafast ionization dynamics.

  19. Peripheral collisions of highly charged ions with metal clusters

    Institute of Scientific and Technical Information of China (English)

    Zhang Cheng-Jun; Hu Bi-Tao; Luo Xian-Wen

    2012-01-01

    Within the framework of the dynamical classical over-barrier model,the soft collisions between slow highly charged ions(SHCIs)Ar17+ and the large copper clusters under large impact parameters have been studied in this paper.We present the dominant mechanism of the electron transfer between SHCls and a large metal cluster by computational simulation.The evolution of the occupation of projectile ions,KLχ satellite lines,X-ray yields,Auger electron spectrum and scattering angles are provided.

  20. Modelling surface restructuring by slow highly charged ions

    Science.gov (United States)

    Wachter, G.; Tőkési, K.; Betz, G.; Lemell, C.; Burgdörfer, J.

    2013-12-01

    We theoretically investigate surface modifications on alkaline earth halides due to highly charged ion impact, focusing on recent experimental evidence for both etch pit and nano-hillock formation on CaF2 (A.S. El-Said et al., Phys. Rev. Lett. 109, (2012) 117602 [1]). We discuss mechanisms for converting the projectile potential and kinetic energies into thermal energy capable of changing the surface structure. A proof-of-principle classical molecular dynamics simulation suggests the existence of two thresholds which we associate with etch pit and nano-hillock formation in qualitative agreement with experiment.

  1. Modelling surface restructuring by slow highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Wachter, G., E-mail: georg.wachter@tuwien.ac.at [Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstraße 8-10, A-1040 Vienna (Austria); Tőkési, K. [Institute of Nuclear Research of the Hungarian Academy of Science (ATOMKI), H-4001 Debrecen, P.O. Box 51 (Hungary); Betz, G. [Institute for Applied Physics, Vienna University of Technology, Wiedner Hauptstraße 8-10, A-1040 Vienna (Austria); Lemell, C.; Burgdörfer, J. [Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstraße 8-10, A-1040 Vienna (Austria)

    2013-12-15

    We theoretically investigate surface modifications on alkaline earth halides due to highly charged ion impact, focusing on recent experimental evidence for both etch pit and nano-hillock formation on CaF{sub 2} (A.S. El-Said et al., Phys. Rev. Lett. 109, (2012) 117602 [1]). We discuss mechanisms for converting the projectile potential and kinetic energies into thermal energy capable of changing the surface structure. A proof-of-principle classical molecular dynamics simulation suggests the existence of two thresholds which we associate with etch pit and nano-hillock formation in qualitative agreement with experiment.

  2. Energy dissipation of highly charged ions on Al oxide films.

    Science.gov (United States)

    Lake, R E; Pomeroy, J M; Sosolik, C E

    2010-03-03

    Slow highly charged ions (HCIs) carry a large amount of potential energy that can be dissipated within femtoseconds upon interaction with a surface. HCI-insulator collisions result in high sputter yields and surface nanofeature creation due to strong coupling between the solid's electronic system and lattice. For HCIs interacting with Al oxide, combined experiments and theory indicate that defect mediated desorption can explain reasonably well preferential O atom removal and an observed threshold for sputtering due to potential energy. These studies have relied on measuring mass loss on the target substrate or probing craters left after desorption. Our approach is to extract highly charged ions onto the Al oxide barriers of metal-insulator-metal tunnel junctions and measure the increased conductance in a finished device after the irradiated interface is buried under the top metal layer. Such transport measurements constrain dynamic surface processes and provide large sets of statistics concerning the way individual HCI projectiles dissipate their potential energy. Results for Xe(q +) for q = 32, 40, 44 extracted onto Al oxide films are discussed in terms of postirradiation electrical device characteristics. Future work will elucidate the relationship between potential energy dissipation and tunneling phenomena through HCI modified oxides.

  3. Strong-field relativistic processes in highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Postavaru, Octavian

    2010-12-08

    In this thesis we investigate strong-field relativistic processes in highly charged ions. In the first part, we study resonance fluorescence of laser-driven highly charged ions in the relativistic regime by solving the time-dependent master equation in a multi-level model. Our ab initio approach based on the Dirac equation allows for investigating highly relativistic ions, and, consequently, provides a sensitive means to test correlated relativistic dynamics, bound-state quantum electrodynamic phenomena and nuclear effects by applying coherent light with x-ray frequencies. Atomic dipole or multipole moments may be determined to unprecedented accuracy by measuring the interference-narrowed fluorescence spectrum. Furthermore, we investigate the level structure of heavy hydrogenlike ions in laser beams. Interaction with the light field leads to dynamic shifts of the electronic energy levels, which is relevant for spectroscopic experiments. We apply a fully relativistic description of the electronic states by means of the Dirac equation. Our formalism goes beyond the dipole approximation and takes into account non-dipole effects of retardation and interaction with the magnetic field components of the laser beam. We predicted cross sections for the inter-shell trielectronic recombination (TR) and quadruelectronic recombination processes which have been experimentally confirmed in electron beam ion trap measurements, mainly for C-like ions, of Ar, Fe and Kr. For Kr{sup 30}+, inter-shell TR contributions of nearly 6% to the total resonant photorecombination rate were found. (orig.)

  4. Irradiation of graphene field effect transistors with highly charged ions

    Science.gov (United States)

    Ernst, P.; Kozubek, R.; Madauß, L.; Sonntag, J.; Lorke, A.; Schleberger, M.

    2016-09-01

    In this work, graphene field-effect transistors are used to detect defects due to irradiation with slow, highly charged ions. In order to avoid contamination effects, a dedicated ultra-high vacuum set up has been designed and installed for the in situ cleaning and electrical characterization of graphene field-effect transistors during irradiation. To investigate the electrical and structural modifications of irradiated graphene field-effect transistors, their transfer characteristics as well as the corresponding Raman spectra are analyzed as a function of ion fluence for two different charge states. The irradiation experiments show a decreasing mobility with increasing fluences. The mobility reduction scales with the potential energy of the ions. In comparison to Raman spectroscopy, the transport properties of graphene show an extremely high sensitivity with respect to ion irradiation: a significant drop of the mobility is observed already at fluences below 15 ions/μm2, which is more than one order of magnitude lower than what is required for Raman spectroscopy.

  5. Atomic physics with highly charged ions. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1994-08-01

    The study of inelastic collision phenomena with highly charged projectile ions and the interpretation of spectral features resulting from these collisions remain as the major focal points in the atomic physics research at the J.R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas. The title of the research project, ``Atomic Physics with Highly Charged Ions,`` speaks to these points. The experimental work in the past few years has divided into collisions at high velocity using the primary beams from the tandem and LINAC accelerators and collisions at low velocity using the CRYEBIS facility. Theoretical calculations have been performed to accurately describe inelastic scattering processes of the one-electron and many-electron type, and to accurately predict atomic transition energies and intensities for x rays and Auger electrons. Brief research summaries are given for the following: (1) electron production in ion-atom collisions; (2) role of electron-electron interactions in two-electron processes; (3) multi-electron processes; (4) collisions with excited, aligned, Rydberg targets; (5) ion-ion collisions; (6) ion-molecule collisions; (7) ion-atom collision theory; and (8) ion-surface interactions.

  6. Graphene quantum dots as a highly efficient solution-processed charge trapping medium for organic nano-floating gate memory.

    Science.gov (United States)

    Ji, Yongsung; Kim, Juhan; Cha, An-Na; Lee, Sang-A; Lee, Myung Woo; Suh, Jung Sang; Bae, Sukang; Moon, Byung Joon; Lee, Sang Hyun; Lee, Dong Su; Wang, Gunuk; Kim, Tae-Wook

    2016-04-08

    A highly efficient solution-processible charge trapping medium is a prerequisite to developing high-performance organic nano-floating gate memory (NFGM) devices. Although several candidates for the charge trapping layer have been proposed for organic memory, a method for significantly increasing the density of stored charges in nanoscale layers remains a considerable challenge. Here, solution-processible graphene quantum dots (GQDs) were prepared by a modified thermal plasma jet method; the GQDs were mostly composed of carbon without any serious oxidation, which was confirmed by x-ray photoelectron spectroscopy. These GQDs have multiple energy levels because of their size distribution, and they can be effectively utilized as charge trapping media for organic NFGM applications. The NFGM device exhibited excellent reversible switching characteristics, with an on/off current ratio greater than 10(6), a stable retention time of 10(4) s and reliable cycling endurance over 100 cycles. In particular, we estimated that the GQDs layer trapped ∼7.2 × 10(12) cm(-2) charges per unit area, which is a much higher density than those of other solution-processible nanomaterials, suggesting that the GQDs layer holds promise as a highly efficient nanoscale charge trapping material.

  7. Investigation of space charge distribution of low-density polyethylene/GO-GNF (graphene oxide from graphite nanofiber) nanocomposite for HVDC application.

    Science.gov (United States)

    Kim, Yoon Jin; Ha, Son-Tung; Lee, Gun Joo; Nam, Jin Ho; Ryu, Ik Hyun; Nam, Su Hyun; Park, Cheol Min; In, Insik; Kim, Jiwan; Han, Chul Jong

    2013-05-01

    This paper reported a research on space charge distribution in low-density polyethylene (LDPE) nanocomposites with different types of graphene and graphene oxide (GO) at low filler content (0.05 wt%) under high DC electric field. Effect of addition of graphene oxide or graphene, its dispersion in LDPE polymer matrix on the ability to suppress space charge generation will be investigated and compared with MgO/LDPE nanocomposite at the same filler concentration. At an applied electric field of 80 kV/mm, a positive packet-like charge was observed in both neat LDPE, MgO/LDPE, and graphene/LDPE nanocomposites, whereas only little homogenous space charge was observed in GO/LDPE nanocomposites, especially with GO synthesized from graphite nano fiber (GNF) which is only -100 nm in diameter. Our research also suggests that dispersion of graphene oxide particles on the polymer matrix plays a significant role to the performance of nanocomposites on suppressing packet-like space charge. From these results, it is expected that nano-sized GO synthesized from GNF can be a promising filler material to LDPE composite for HVDC applications.

  8. 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 def...

  9. High power densities from high-temperature material interactions

    Energy Technology Data Exchange (ETDEWEB)

    Morris, J.F.

    1981-01-01

    Thermionic energy conversion (TEC) and metallic-fluid heat pipes (MFHPs) offer important and unique advantages in terrestrial and space energy processing. And they are well suited to serve together synergistically. TEC and MFHPs operate through working-fluid vaporization, condensation cycles that accept great thermal power densities at high temperatures. TEC and MFHPs have apparently simple, isolated performance mechanisms that are somewhat similar. And they also have obviously difficult, complected material problems that again are somewhat similar. Intensive investigation reveals that aspects of their operating cycles and material problems tend to merge: high-temperature material effects determine the level and lifetime of performance. Simplified equations verify the preceding statement for TEC and MFHPs. Material properties and interactions exert primary influences on operational effectiveness. And thermophysicochemical stabilities dictate operating temperatures which regulate the thermoemissive currents of TEC and the vaporization flow rates of MFHPs. Major high-temperature material problems of TEC and MFHPs have been solved. These solutions lead to productive, cost-effective applications of current TEC and MFHPs - and point to significant improvements with anticipated technological gains.

  10. Space-charge-limited leakage current in high dielectric constant and ferroelectric thin films considering the field-dependent permittivity

    Science.gov (United States)

    Sun, J.; Zheng, X. J.; Yin, W.; Tang, M. H.; Li, W.

    2010-12-01

    Distinguishing from the traditional characterization on high-field leakage current density-voltage relationship, the field-dependent permittivity from the polarization derivative is used to solve the space-charge-limited conduction, and the simulated leakage current densities are compared with the previous experimental observations. The influences of the mobility, ferroelectric parameters, and film thickness on the leakage current densities are discussed. The results verify that the high-field quasi-Ohmic region observed experimentally may result from the field-dependent permittivity, and that the leakage current can be influenced by the ferroelectric polarization.

  11. Physics and applications of high energy density plasmas. Extreme state driven by pulsed electromagnetic energy

    Energy Technology Data Exchange (ETDEWEB)

    Horioka, Kazuhiko (ed.)

    2002-06-01

    The papers presented at the symposium on ''Physics and application of high energy density plasmas, held December 20-21, 2001 at NIFS'' are collected in this proceedings. The topics covered in the meeting include dense z-pinches, plasma focus, intense charged particle beams, intense radiation sources, discharge pumped X-ray lasers, their diagnostics, and applications of them. The papers reflect the present status and trends in the research field of high energy density plasmas. (author)

  12. High-Density Chemical Intercalation of Zero-Valent Copper into Bi 2 Se 3 Nanoribbons

    KAUST Repository

    Koski, Kristie J.

    2012-05-09

    A major goal of intercalation chemistry is to intercalate high densities of guest species without disrupting the host lattice. Many intercalant concentrations, however, are limited by the charge of the guest species. Here we have developed a general solution-based chemical method for intercalating extraordinarily high densities of zero-valent copper metal into layered Bi 2Se 3 nanoribbons. Up to 60 atom % copper (Cu 7.5Bi 2Se 3) can be intercalated with no disruption to the host lattice using a solution disproportionation redox reaction. © 2012 American Chemical Society.

  13. Magnetic-field-induced charge-stripe order in the high-temperature superconductor YBa2Cu3Oy.

    Science.gov (United States)

    Wu, Tao; Mayaffre, Hadrien; Krämer, Steffen; Horvatić, Mladen; Berthier, Claude; Hardy, W N; Liang, Ruixing; Bonn, D A; Julien, Marc-Henri

    2011-09-07

    Electronic charges introduced in copper-oxide (CuO(2)) planes generate high-transition-temperature (T(c)) superconductivity but, under special circumstances, they can also order into filaments called stripes. Whether an underlying tendency towards charge order is present in all copper oxides and whether this has any relationship with superconductivity are, however, two highly controversial issues. To uncover underlying electronic order, magnetic fields strong enough to destabilize superconductivity can be used. Such experiments, including quantum oscillations in YBa(2)Cu(3)O(y) (an extremely clean copper oxide in which charge order has not until now been observed) have suggested that superconductivity competes with spin, rather than charge, order. Here we report nuclear magnetic resonance measurements showing that high magnetic fields actually induce charge order, without spin order, in the CuO(2) planes of YBa(2)Cu(3)O(y). The observed static, unidirectional, modulation of the charge density breaks translational symmetry, thus explaining quantum oscillation results, and we argue that it is most probably the same 4a-periodic modulation as in stripe-ordered copper oxides. That it develops only when superconductivity fades away and near the same 1/8 hole doping as in La(2-x)Ba(x)CuO(4) (ref. 1) suggests that charge order, although visibly pinned by CuO chains in YBa(2)Cu(3)O(y), is an intrinsic propensity of the superconducting planes of high-T(c) copper oxides.

  14. A Review of SCATHA (Spacecraft Charging at High Altitudes) Satellite Results: Charging and Discharging

    Science.gov (United States)

    2007-11-02

    Publ. AFGL-TR-77-0051 (1977), 723. 28. Reagan, J. B., E. E. Mayarott, E. E. Gaines., R. W. Nightingale, P. C. Filbert, and W. L. Imhof , "Space Charging...1982). 29. Reagan, J. B., R. W. Nightingale, E. E. Gaines, R. E. Meyercroft, and W. L. Imhof , "The Role of Energetic Particles in the Charging

  15. X-ray emission from charge exchange of highly-charged ions in atoms and molecules

    Science.gov (United States)

    Greenwood, J. B.; Williams, I. D.; Smith, S. J.; Chutjian, A.

    2000-01-01

    Charge exchange followed by radiative stabilization are the main processes responsible for the recent observations of X-ray emission from comets in their approach to the Sun. A new apparatus was constructed to measure, in collisions of HCIs with atoms and molecules, (a) absolute cross sections for single and multiple charge exchange, and (b) normalized X-ray emission cross sections.

  16. Thomson backscattering diagnostics of nanosecond electron bunches in high space charge regime

    CERN Document Server

    Paroli, B

    2012-01-01

    The intra-beam repulsions play a significant role in determining the performances of free-electron devices when an high brilliance of the beam is required. The transversal and longitudinal spread of the beam, its energy and density are fundamental parameters in any beam experiment and different beam diagnostics are available to measure such parameters. A diagnostic method based on the Thomson backscattering of a laser beam impinging on the particle beam is proposed in this work for the study of nanosecond electron bunches in high space charge regime. This diagnostics, aimed to the measurement of density, energy and energy spread, was set-up in a Malmberg-Penning trap (generally used for the electron/ion confinment) in two different configurations designed to optimize sensitivity, spatial resolution and electron-beam coincidence in space and time. To this purpose an electron bunch (pulse time <4ns), produced by a photocathode source, was preliminary characterized with different electrostatic diagnostics and...

  17. Stripe and Short Range Order in the Charge Density Wave of 1 T -CuxTiSe2

    Science.gov (United States)

    Novello, A. M.; Spera, M.; Scarfato, A.; Ubaldini, A.; Giannini, E.; Bowler, D. R.; Renner, Ch.

    2017-01-01

    We study the impact of Cu intercalation on the charge density wave (CDW) in 1 T -CuxTiSe2 by scanning tunneling microscopy and spectroscopy. Cu atoms, identified through density functional theory modeling, are found to intercalate randomly on the octahedral site in the van der Waals gap and to dope delocalized electrons near the Fermi level. While the CDW modulation period does not depend on Cu content, we observe the formation of charge stripe domains at low Cu content (x domains at higher Cu content. The latter shrink with increasing Cu concentration and tend to be phase shifted. These findings invalidate a proposed excitonic pairing as the primary CDW formation mechanism in this material.

  18. 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.

  19. Examination of charge transfer in Au/YSZ for high-temperature optical gas sensing

    Energy Technology Data Exchange (ETDEWEB)

    Baltrus, John P. [U.S. DOE; Ohodnicki, Paul R. [U.S. DOE

    2014-01-01

    Au-nanoparticle incorporated oxide thin film materials demonstrate significant promise as functionalsensor materials for high temperature optical gas sensing in severe environments relevant for fossil andnuclear based power generation. The Au/yttria-stabilized zirconia (YSZ) system has been extensivelystudied in the literature and serves as a model system for fundamental investigations that seek to betterunderstand the mechanistic origin of the plasmonic gas sensing response. In this work, X-ray photoelec-tron spectroscopy techniques are applied to Au/YSZ films in an attempt to provide further experimentalevidence for a proposed sensing mechanism involving a change in free carrier density of Au nanoparticles due to charge transfer.

  20. Interaction of slow and highly charged ions with surfaces: formation of hollow atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Grether, M.; Spieler, A.; Niemann, D. [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A.

    1997-03-01

    The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)