Manipulation and application of orbital ordering

International Nuclear Information System (INIS)

Sheng Zhigao; Sun Yuping

2014-01-01

Under certain conditions, the orbits of the outmost shell electrons in strong correlated materials can be localized in order, which gives birth to so-called orbital ordering. During the construction or destruction of the orbital ordering, strongly correlated materials show fruitful quantum critical phenomena with great potential for future applications. We first present the mechanism for the construction of orbital ordering. Then, some physical properties associated with orbits are discussed. Finally, we emphasize the key points and progress in the research of orbital ordering controlling. (authors)

Simulation of charge transfer and orbital rehybridization in molecular and condensed matter systems

Science.gov (United States)

Nistor, Razvan A.

The mixing and shifting of electronic orbitals in molecules, or between atoms in bulk systems, is crucially important to the overall structure and physical properties of materials. Understanding and accurately modeling these orbital interactions is of both scientific and industrial relevance. Electronic orbitals can be perturbed in several ways. Doping, adding or removing electrons from systems, can change the bond-order and the physical properties of certain materials. Orbital rehybridization, driven by either thermal or pressure excitation, alters the short-range structure of materials and changes their long-range transport properties. Macroscopically, during bond formation, the shifting of electronic orbitals can be interpreted as a charge transfer phenomenon, as electron density may pile up around, and hence, alter the effective charge of, a given atom in the changing chemical environment. Several levels of theory exist to elucidate the mechanisms behind these orbital interactions. Electronic structure calculations solve the time-independent Schrodinger equation to high chemical accuracy, but are computationally expensive and limited to small system sizes and simulation times. Less fundamental atomistic calculations use simpler parameterized functional expressions called force-fields to model atomic interactions. Atomistic simulations can describe systems and time-scales larger and longer than electronic-structure methods, but at the cost of chemical accuracy. In this thesis, both first-principles and phenomenological methods are addressed in the study of several encompassing problems dealing with charge transfer and orbital rehybridization. Firstly, a new charge-equilibration method is developed that improves upon existing models to allow next-generation force-fields to describe the electrostatics of changing chemical environments. Secondly, electronic structure calculations are used to investigate the doping dependent energy landscapes of several high

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

International Nuclear Information System (INIS)

Veenendaal, Michel van

2016-01-01

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than a picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. Finally, for small long-range interactions, recovery can be slow due to domain formation.

Charge and Spin Transport in Spin-orbit Coupled and Topological Systems

KAUST Repository

Ndiaye, Papa Birame

2017-10-31

In the search for low power operation of microelectronic devices, spin-based solutions have attracted undeniable increasing interest due to their intrinsic magnetic nonvolatility. The ability to electrically manipulate the magnetic order using spin-orbit interaction, associated with the recent emergence of topological spintronics with its promise of highly efficient charge-to-spin conversion in solid state, offer alluring opportunities in terms of system design. Although the related technology is still at its infancy, this thesis intends to contribute to this engaging field by investigating the nature of the charge and spin transport in spin-orbit coupled and topological systems using quantum transport methods. We identified three promising building blocks for next-generation technology, three classes of systems that possibly enhance the spin and charge transport efficiency: (i)- topological insulators, (ii)- spin-orbit coupled magnonic systems, (iii)- topological magnetic textures (skyrmions and 3Q magnetic state). Chapter 2 reviews the basics and essential concepts used throughout the thesis: the spin-orbit coupling, the mathematical notion of topology and its importance in condensed matter physics, then topological magnetism and a zest of magnonics. In Chapter 3, we study the spin-orbit torques at the magnetized interfaces of 3D topological insulators. We demonstrated that their peculiar form, compared to other spin-orbit torques, have important repercussions in terms of magnetization reversal, charge pumping and anisotropic damping. In Chapter 4, we showed that the interplay between magnon current jm and magnetization m in homogeneous ferromagnets with Dzyaloshinskii-Moriya (DM) interaction, produces a field-like torque as well as a damping-like torque. These DM torques mediated by spin wave can tilt the imeaveraged magnetization direction and are similar to Rashba torques for electronic systems. Moreover, the DM torque is more efficient when magnons are

Self-consistent coupling of atomic orbitals to a moving charge

International Nuclear Information System (INIS)

Da Costa, H.F.M.; Micha, D.A.

1994-01-01

The authors describe the time evolution of hydrogenic orbitals perturbed by a moving charge. Starting with the equation for an atom interacting with a charge, the authors use an eikonal representation of the total wave-function, followed by an eikonal approximation, to derive coupled differential equations for the temporal change of the orbitals and the charge's trajectory. The orbitals are represented by functions with complex exponents changing with time, describing electronic density and flux changes. For each orbital, they solve a set of six coupled differential equations; two of them are derived with a time-dependent variational procedure for the real and imaginary parts of the exponents, and the other four are the Hamilton equations of the positions and momenta of the moving charge. The molecular potentials are derived from the exact expressions for the electronic energies. Results of calculations for 1s and 2s orbitals show large variation of the real exponent parts over time, with respect to asymptotic values, and that imaginary parts remain small

Orbital-motion-limited theory of dust charging and plasma response

International Nuclear Information System (INIS)

Tang, Xian-Zhu; Luca Delzanno, Gian

2014-01-01

The foundational theory for dusty plasmas is the dust charging theory that provides the dust potential and charge arising from the dust interaction with a plasma. The most widely used dust charging theory for negatively charged dust particles is the so-called orbital motion limited (OML) theory, which predicts the dust potential and heat collection accurately for a variety of applications, but was previously found to be incapable of evaluating the dust charge and plasma response in any situation. Here, we report a revised OML formulation that is able to predict the plasma response and hence the dust charge. Numerical solutions of the new OML model show that the widely used Whipple approximation of dust charge-potential relationship agrees with OML theory in the limit of small dust radius compared with plasma Debye length, but incurs large (order-unity) deviation from the OML prediction when the dust size becomes comparable with or larger than plasma Debye length. This latter case is expected for the important application of dust particles in a tokamak plasma

Low to High Spin-State Transition Induced by Charge Ordering in Antiferromagnetic YBaCo2O5

International Nuclear Information System (INIS)

Vogt, T.; Woodward, P. M.; Karen, P.; Hunter, B. A.; Henning, P.; Moodenbaugh, A. R.

2000-01-01

The oxygen-deficient double perovskite YBaCo 2 O 5 , containing corner-linked CoO 5 square pyramids as principal building units, undergoes a paramagnetic to antiferromagnetic spin ordering at 330 K. This is accompanied by a tetragonal to orthorhombic distortion. Below 220 K orbital ordering and long-range Co 2+ /Co 3+ charge ordering occur as well as a change in the Co 2+ spin state from low to high spin. This transition is shown to be very sensitive to the oxygen content of the sample. To our knowledge this is the first observation of a spin-state transition induced by long-range orbital and charge ordering. (c) 2000 The American Physical Society

Charge, spin and orbital order in the candidate multiferroic material LuFe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Groot, Joost de

2012-06-28

This thesis is a detailed study of the magnetic, structural and orbital order parameters of the candidate multiferroic material LuFe{sub 2}O{sub 4}. Multiferroic oxides with a strong magnetoelectric coupling are of high interest for potential information technology applications, but they are rare because the traditional mechanism of ferroelectricity is incompatible with magnetism. Consequently, much attention is focused on various unconventional mechanisms of ferroelectricity. Of these, ferroelectricity originating from charge ordering (CO) is particularly intriguing because it potentially combines large electric polarizations with strong magneto-electric coupling. However, examples of oxides where this mechanism occurs are exceedingly rare and none is really well understood. LuFe{sub 2}O{sub 4} is often cited as the prototypical example of CO-based ferroelectricity. In this material, the order of Fe valences has been proposed to render the triangular Fe/O bilayers polar by making one of the two layers rich in Fe{sup 2+} and the other rich in Fe{sup 3+}, allowing for a possible ferroelectric stacking of the individual bilayers. Because of this new mechanism for ferroelectricity, and also because of the high transition temperatures of charge order (T{sub CO} {proportional_to}320K) and ferro magnetism (T{sub N}{proportional_to}240 K) LuFe{sub 2}O{sub 4} has recently attracted increasing attention. Although these polar bilayers are generally accepted in the literature for LuFe{sub 2}O{sub 4}, direct proof is lacking. An assumption-free experimental determination of whether or not the CO in the Fe/O bilayers is polar would be crucial, given the dependence of the proposed mechanism of ferroelectricity from CO in LuFe{sub 2}O{sub 4} on polar bilayers. This thesis starts with a detailed characterization of the macroscopic magnetic properties, where growing ferrimagnetic contributions observed in magnetization could be ascribed to increasing oxygen off-stoichiometry. The

Electric field driven orbital order-disorder transition in LaMnO3

International Nuclear Information System (INIS)

Bhattacharya, Dipten

2012-01-01

The external stimulation such as mechanical pressure magnetic field, electric field, and optical pulse driven phase transition and concomitant gigantic response in physical properties in terms of orders of magnitude jump in electrical resistivity, magnetization, thermoelectric power, or optical constants etc in strongly correlated electron systems has fascinated the researchers for more than two decades now. The underlying physics is nontrivial and the application potential is enormous. We report here our observation of pulsed electric field driven orbital order-disorder transition in canonical orbital ordered system LaMnO 3 . The LaMnO 3 , with orthorhombic crystallographic structure (space group Pbnm), possesses A-type magnetic order below T N (∼ 140 K) and C-type orbital order, with ordering of active 3d 3x 2 -r 2 /3d 3y 2 -r 2 orbitals within a plane and stacking across the plane, below Too (∼ 750 K). We have studied the electrical current-voltage characteristics as well as the differential thermal scans across a wide temperature range 80-800 K under pulsed field on a high quality single crystal of LaMnO 3 . We show how under pulsed electric field, T00 shifts towards lower temperature and the latent heat of the transition decreases monotonically. We also show that the electrical resistivity jumps by more than five orders of magnitude beyond a threshold electric field a low temperature (∼ 80 K). The field driven transition turns out to be originating electro-migration of lattice defects and consequent depinning of orbital domains. The orbital order in LaMnO 3 is not a continuum. It is granular because of interaction with lattice strain, defects, or even interference between Jahn-Teller and MnO 6 tilt order. The domains are pinned by the defects. The electric field driven migration leads to depinning transition. The model of depinning of charge density waves appears to be fitting the data observed in the present case closely, since the orbital order in La

Improper ferroelectric polarization in a perovskite driven by intersite charge transfer and ordering

Science.gov (United States)

Chen, Wei-Tin; Wang, Chin-Wei; Wu, Hung-Cheng; Chou, Fang-Cheng; Yang, Hung-Duen; Simonov, Arkadiy; Senn, M. S.

2018-04-01

It is of great interest to design and make materials in which ferroelectric polarization is coupled to other order parameters such as lattice, magnetic, and electronic instabilities. Such materials will be invaluable in next-generation data storage devices. Recently, remarkable progress has been made in understanding improper ferroelectric coupling mechanisms that arise from lattice and magnetic instabilities. However, although theoretically predicted, a compact lattice coupling between electronic and ferroelectric (polar) instabilities has yet to be realized. Here we report detailed crystallographic studies of a perovskite HgAMn3A'Mn4BO12 that is found to exhibit a polar ground state on account of such couplings that arise from charge and orbital ordering on both the A'- and B-sites, which are themselves driven by a highly unusual MnA '-MnB intersite charge transfer. The inherent coupling of polar, charge, orbital, and hence magnetic degrees of freedom make this a system of great fundamental interest, and demonstrating ferroelectric switching in this and a host of recently reported hybrid improper ferroelectrics remains a substantial challenge.

Short range charge/orbital ordering in La{sub 1-x}Sr{sub x}Mn{sub 1-z}B{sub z}O{sub 3} (B Cu,Zn) manganites

Energy Technology Data Exchange (ETDEWEB)

Popovic, Z V [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Cantarero, A [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Thijssen, W H A [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Paunovic, N [Centre for Solid State Physics and New Materials, Institute of Physics, PO Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Dohcevic-Mitrovic, Z [Centre for Solid State Physics and New Materials, Institute of Physics, PO Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Sapina, F [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain)

2005-01-19

We have measured the reflectivity spectra of La{sub 1-x}Sr{sub x}Mn{sub 1-z}B{sub z}O{sub 3} (B = Cu, Zn; 0.17 {<=} x {<=} 0.30; 0 {<=} z {<=} 0.10) manganites over wide frequency (100-4000 cm{sup -1}) and temperature (80-300 K) ranges. Besides the previously observed infrared active modes or mode pairs at about 160 cm{sup -1} (external mode), 350 cm{sup -1} (bond bending mode) and 590 cm{sup -1} (bond stretching mode), we have clearly observed two additional phonon modes at about 645 and 720 cm{sup -1} below the temperature T{sub 1} (T{sub 1}charge/orbitally ordered domains. The temperature T{sub 1} of the phase transition is dependent on the doping concentration and for optimally doped samples we have found that T{sub 1} {approx}(0.93 {+-} 0.02) T{sub C}. Electrical resistivity and magnetization measurements versus temperature and magnetic field support the short range charge/orbital ordering scenario.

Orbital Motion of Electrically Charged Spheres in Microgravity

Science.gov (United States)

Banerjee, Shubho; Andring, Kevin; Campbell, Desmond; Janeski, John; Keedy, Daniel; Quinn, Sean; Hoffmeister, Brent

2008-01-01

The similar mathematical forms of Coulomb's law and Newton's law of gravitation suggest that two uniformly charged spheres should be able to orbit each other just as two uniform spheres of mass are known to do. In this paper we describe an experiment that we performed to demonstrate such an orbit. This is the first published account of a…

Magnetism, Superconductivity, and Spontaneous Orbital Order in Iron-Based Superconductors: Which Comes First and Why?

Directory of Open Access Journals (Sweden)

Andrey V. Chubukov

2016-12-01

Full Text Available Magnetism and nematic order are the two nonsuperconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models with quenched orbital degrees of freedom, magnetic fluctuations promote stripe magnetism, which induces orbital order. In models with quenched spin degrees of freedom, charge fluctuations promote spontaneous orbital order, which induces stripe magnetism. Here, we develop an unbiased approach, in which we treat magnetic and orbital fluctuations on equal footing. Key to our approach is the inclusion of the orbital character of the low-energy electronic states into renormalization group (RG analysis. We analyze the RG flow of the couplings and argue that the same magnetic fluctuations, which are known to promote s^{+-} superconductivity, also promote an attraction in the orbital channel, even if the bare orbital interaction is repulsive. We next analyze the RG flow of the susceptibilities and show that, if all Fermi pockets are small, the system first develops a spontaneous orbital order, then s^{+-} superconductivity, and magnetic order does not develop down to T=0. We argue that this scenario applies to FeSe. In systems with larger pockets, such as BaFe_{2}As_{2} and LaFeAsO, we find that the leading instability is either towards a spin-density wave or superconductivity. We argue that in this situation nematic order is caused by composite spin fluctuations and is vestigial to stripe magnetism. Our results provide a unifying description of different iron-based materials.

Molecular orbital evaluation of charge flow dynamics in natural pigments based photosensitizers.

Science.gov (United States)

Heera, Thekinneydath Rajan; Cindrella, Louis

2010-03-01

The relationship between structure and photo electrochemical property of ten natural pigments from plants, insects and microbes has been analyzed using density functional theory (DFT) at the B3LYP/6-31G(d) level. The essential parameters for their photoelectrochemical behaviour such as ground state geometries, electronic transition energies and oxidation potentials are computed. The attachment tendency of the anchoring groups, expressed as the deprotonation order, is determined by calculating the proton affinities at different sites of the molecules. A thorough analysis of the charge flow dynamics in the molecular orbitals (HOMO and LUMO) of these molecules has been carried out and presented to emphasize the role of these orbitals in effective charge separation, the important feature of photosensitizers for DSSC. This study highlights that the flexible spatial orientation provided by the bridging aliphatic unsaturation favours the oscillator strength and the hydroxyl anchor group attached to the ring of delocalized pi electron cloud acts as the effective anchor.

High-resolution x-ray scattering studies of charge ordering in highly correlated electron systems

International Nuclear Information System (INIS)

Ghazi, M.E.

2002-01-01

Many important properties of transition metal oxides such as, copper oxide high-temperature superconductivity and colossal magnetoresistance (CMR) in manganites are due to strong electron-electron interactions, and hence these systems are called highly correlated systems. These materials are characterised by the coexistence of different kinds of order, including charge, orbital, and magnetic moment. This thesis contains high-resolution X-ray scattering studies of charge ordering in such systems namely the high-T C copper oxides isostructural system, La 2-x Sr x NiO 4 with various Sr concentrations (x = 0.33 - 0.2), and the CMR manganite system, Nd 1/2 Sr 1/2 MnO 3 . It also includes a review of charge ordering in a large variety of transition metal oxides, such as ferrates, vanadates, cobaltates, nickelates, manganites, and cuprates systems, which have been reported to date in the scientific literature. Using high-resolution synchrotron X-ray scattering, it has been demonstrated that the charge stripes exist in a series of single crystals of La 2-x Sr x NiO 4 with Sr concentrations (x = 0.33 - 0.2) at low temperatures. Satellite reflections due to the charge ordering were found with the wavevector (2ε, 0, 1) below the charge ordering transition temperature, T CO , where 2ε is the amount of separation from the corresponding Bragg peak. The charge stripes are shown to be two-dimensional in nature both by measurements of their correlation lengths and by measurement of the critical exponents of the charge stripe melting transition with an anomaly at x = 0.25. The results show by decreasing the hole concentration from the x = 0.33 to 0.2, the well-correlated charge stripes change to a glassy state at x = 0.25. The electronic transition into the charge stripe phase is second-order without any corresponding structural transition. Above the second-order transition critical scattering was observed due to fluctuations into the charge stripe phase. In a single-crystal of Nd

Microscopic description of orbital-selective spin ordering in BaMn2As2

Science.gov (United States)

Craco, L.; Carara, S. S.

2018-05-01

Using generalized gradient approximation+dynamical mean-field theory, we provide a microscopic description of orbital-selective spin ordering in the tetragonal manganese pnictide BaMn2As2 . We demonstrate the coexistence of local moments and small band-gap electronic states in the parent compound. We also explore the role played by electron/hole doping, showing that the Mott insulating state is rather robust to small removal of electron charge carriers similar to cuprate oxide superconductors. Good qualitative accord between theory and angle-resolved photoemission as well as electrical transport provides support to our view of orbital-selective spin ordering in BaMn2As2 . Our proposal is expected to be an important step to understanding the emergent correlated electronic structure of materials with persisting ordered localized moments coexisting with Coulomb reconstructed nonmagnetic electronic states.

Frequency effects on charge ordering in Y0.5Ca0.5MnO3 by impedance spectroscopy

Science.gov (United States)

Sarwar, Tuba; Qamar, Afzaal; Nadeem, Muhammad

2015-02-01

In this work, structural and electrical properties of Y0.5Ca0.5MnO3 are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of TCO. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below TN(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn3+ and Mn4+ channels assessing the activation energy Ea.

Irrational Charge from Topological Order

Science.gov (United States)

Moessner, R.; Sondhi, S. L.

2010-10-01

Topological or deconfined phases of matter exhibit emergent gauge fields and quasiparticles that carry a corresponding gauge charge. In systems with an intrinsic conserved U(1) charge, such as all electronic systems where the Coulombic charge plays this role, these quasiparticles are also characterized by their intrinsic charge. We show that one can take advantage of the topological order fairly generally to produce periodic Hamiltonians which endow the quasiparticles with continuously variable, generically irrational, intrinsic charges. Examples include various topologically ordered lattice models, the three-dimensional resonating valence bond liquid on bipartite lattices as well as water and spin ice. By contrast, the gauge charges of the quasiparticles retain their quantized values.

General classification of charged test particle circular orbits in Reissner-Nordstroem spacetime

Energy Technology Data Exchange (ETDEWEB)

Pugliese, D. [Silesian University in Opava, Institute of Physics, Faculty of Philosophy and Science, Opava (Czech Republic); Quevedo, H. [Universita di Roma ' ' La Sapienza' ' , Dipartimento di Fisica, ICRA, Rome (Italy); Icranet-Pescara, Pescara (Italy); Universidad Nacional Autonoma de Mexico, Instituto de Ciencias Nucleares, Mexico, DF (Mexico); Kazakh National University, Department of Theoretical and Nuclear Physics, Almaty (Kazakhstan); Ruffini, R. [Universita di Roma ' ' La Sapienza' ' , Dipartimento di Fisica, ICRA, Rome (Italy); Icranet-Pescara, Pescara (Italy)

2017-04-15

We investigate charged particles' circular motion in the gravitational field of a charged mass distribution described by the Reissner-Nordstroem spacetime. We introduce a set of independent parameters completely characterizing the different spatial regions in which circular motion is allowed. We provide a most complete classification of circular orbits for different sets of particle and source charge-to-mass ratios. We study both black holes and naked singularities and show that the behavior of charged particles depend drastically on the type of source. Our analysis shows in an alternative manner that the behavior of circular orbits can in principle be used to distinguish between black holes and naked singularities. From this analysis, special limiting values for the dimensionless charge of black hole and naked singularity emerge, namely, Q/M = 1/2, Q/M = √(13)/5 and Q/M = √(2/3) for the black hole case and Q/M = 1, Q/M = 5/(2√(6)), Q/M = 3√(6)/7, and finally Q/M = √(9/8) for the naked singularity case. Similarly and surprisingly, analogous limits emerge for the orbiting particles charge-to-mass ratio ε, for positive charges ε = 1, ε = 2 and ε = M/Q. These limits play an important role in the study of the coupled electromagnetic and gravitational interactions, and the investigation of the role of the charge in the gravitational collapse of compact objects. (orig.)

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

Science.gov (United States)

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

2018-02-14

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

Vehicle charging and return current measurements during electron-beam emission experiments from the Shuttle Orbiter

International Nuclear Information System (INIS)

Hawkins, J.G.

1988-01-01

The prime objective of this research was to investigate the electro-dynamic response of the Shuttle Orbiter during electron beam emission from the payload bay. This investigation has been conducted by examining data collected by the Vehicle Charging And Potential (VCAP) Experiment. The VCAP experiment has flown on two Shuttle missions with a Fast Pulse Electron Generator (FPEG) capable of emitting a 100 mA beam of 1 keV electrons. Diagnostics of the charging and return current during beam emission were provided by a combined Charge and Current Probe (CCP) located in the payload bay of the Orbiter. The CCP measurements were used to conduct a parametric study of the vehicle charging and return current as a function of vehicle attitude, ambient plasma parameters, and emitted beam current. In particular, the CCP measurements were found to depend strongly on the ambient plasma density. The vehicle charging during a 100 mA beam emission was small when the predicted ambient plasma density was greater than 3 x 10 5 cm -3 , but appreciable charging occurred when the density was less than this value. These observations indicated that the effective current-collecting area of the Orbiter is approximately 42 m 2 , consistent with estimates for the effective area of the Orbiter's engine nozzles. The operation of the Orbiter's Reaction Control System thrusters can create perturbations in the Orbiter's neutral and plasma environment that affect the CCP measurements. The CCP signatures of thruster firings are quite complex, but in general they are consistent with the depletion of plasma density in the ram direction and the enhancement of plasma density in the Orbiter's wake

Frequency effects on charge ordering in Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} by impedance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sarwar, Tuba, E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); DPAM, PIEAS, P. O. Nilore, Islamabad (Pakistan); Qamar, Afzaal [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, Muhammad [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan)

2015-02-01

In this work, structural and electrical properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of T{sub CO}. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below T{sub N}(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}. - Highlights: • Present study contains a detailed investigation over the electrical and structural properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} especially its behavior across the charge ordering transition. • Impedance measurements illustrate the comprehensive melting and collapse of robust charge orbital ordering with colossal drop in impedance. • In T{sub N}

Orbital frustration induced unusual ordering in semiconductor alloys

Science.gov (United States)

Liu, Kai; Yin, Wanjian; Chen, Shiyou; Gong, Xingao; Wei, Suhuai; Xiang, Hongjun

It is well known that ternary zinc-blende semiconductors are always more stable in the chalcopyrite (CH) structure than the Cu-Au (CA) structure because CH structure has large Coulomb interaction and reduced strain energy. Surprisingly, an experimental study showed that ZnFeSe2 alloy takes the CA order as the ground state structure, which is consistent with our density function theory (DFT) calculations showing that the CA order has lower energy than the CH order for ZnFeSe2. We reveal that the orbital degree of freedom of high-spin Fe2+ ion (d6) in the tetrahedral crystal field plays a key role in stabilizing the CA order. First, the spin-minority d electron of the Fe2+ ion tends to occupy the dx2-y 2 -like orbital instead of the d3z2 -r2 -like orbital because of its large negative Coulomb energy. Second, for a nearest-neighboring Fe2+ pair, two spin-minority d electrons with occupied dx2-y 2 -like orbitals in the plane containing the Fe-Fe bond has lower electronic kinetic energy. Both conditions can be satisfied in the CA ordered ZnFeSe2 alloy, while there is an orbital frustration in the CH structure. Our results suggest that orbital degree of freedom provides a new way to manipulate the structure and properties of alloys. Work at Fudan was supported by NSFC (11374056), the Special Funds for Major State Basic Research (2012CB921400, 2015CB921700), Program for Professor of Special Appointment (Eastern Scholar), and Fok Ying Tung Education Foundation.

First principle calculations of charge ordering in manganites

International Nuclear Information System (INIS)

Baldomir, D.; Pardo, V.; Castro, J.; Iglesias, M.; Arias, J.E.; Rivas, J.

2007-01-01

Electronic structure calculations were performed on the compound La 0.5 Ca 0.5 MnO 3 to study the relationship between the magnetic ordering, the charge ordering and the geometry of the compound. Charge ordering is intimately related to the magnetic ordering. An antiferromagnetic ordering induces charge disproportionation via a Jahn-Teller distortion. A full disproportionation in Mn 3+ /Mn 4+ occurs for the experimental geometry and allows to predict the experimentally found antiferromagnetic insulating state

Formal Valence, 3 d Occupation, and Charge Ordering Transitions

Science.gov (United States)

Pickett, Warren

2014-03-01

The metal-insulator transition (MIT), discovered by Verwey in the late 1930s, has been thought to be one of the best understood of MITs, the other ones being named after Wigner, Peierls, Mott, and Anderson. Continuing work on these transitions finds in some cases less and less charge to order, raising the fundamental question of just where the entropy is coming from, and just what is ordering. To provide insight into the mechanism of charge-ordering transitions, which conventionally are pictured as a disproportionation, I will (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new theoretical results for the rare earth nickelates (viz. YNiO3), the putative charge ordering compound AgNiO2, and the dual charge state insulator AgO, and (3) analyze cationic occupations of actual (not formal) charge, and work to reconcile the conundrums that arise. Several of the clearest cases of charge ordering transitions involve no disproportion; moreover, the experimental data used to support charge ordering can be accounted for within density functional based calculations that contain no charge transfer The challenge of modeling charge ordering transitions with model Hamiltonians will be discussed. Acknowledgment: Y. Quan, V. Pardo. Supported by NSF award DMR-1207622-0.

Charge and Spin Transport in Spin-orbit Coupled and Topological Systems

KAUST Repository

Ndiaye, Papa Birame

2017-01-01

for next-generation technology, three classes of systems that possibly enhance the spin and charge transport efficiency: (i)- topological insulators, (ii)- spin-orbit coupled magnonic systems, (iii)- topological magnetic textures (skyrmions and 3Q magnetic

Next-order spin-orbit contributions to chaos in compact binaries

International Nuclear Information System (INIS)

Wang Yuzhao; Wu Xin

2011-01-01

This paper is mainly devoted to numerically investigating the effects of the next-order spin-orbit interactions including the 2.5 post-Newtonian order term of the equations of motion and the second post-Newtonian order terms of the spin precession equations on chaos in the conservative Lagrangian dynamics of a spinning compact binary system. It is shown sufficiently through individual orbit simulations, the dependence of the invariant fast Lyapunov indicators on the variations of initial spin angles and the phase space scans for chaos, that the next-order spin-orbit contributions do play an important role in the amplification of chaos.

FROM ORDER TO CHAOS IN EARTH SATELLITE ORBITS

Energy Technology Data Exchange (ETDEWEB)

Gkolias, Ioannis; Gachet, Fabien [Department of Mathematics, University of Rome Tor Vergata, I-00133 Rome (Italy); Daquin, Jérôme [IMCCE/Observatoire de Paris, Université Lille1, F-59000 Lille (France); Rosengren, Aaron J., E-mail: gkolias@mat.uniroma2.it [IFAC-CNR, 50019 Sesto Fiorentino, Florence (Italy)

2016-11-01

We consider Earth satellite orbits in the range of semimajor axes where the perturbing effects of Earth’s oblateness and lunisolar gravity are of comparable order. This range covers the medium-Earth orbits (MEO) of the Global Navigation Satellite Systems and the geosynchronous orbits (GEO) of the communication satellites. We recall a secular and quadrupolar model, based on the Milankovitch vector formulation of perturbation theory, which governs the long-term orbital evolution subject to the predominant gravitational interactions. We study the global dynamics of this two-and-a-half degrees-of-freedom Hamiltonian system by means of the fast Lyapunov indicator (FLI), used in a statistical sense. Specifically, we characterize the degree of chaoticity of the action space using angle-averaged normalized FLI maps, thereby overcoming the angle dependencies of the conventional stability maps. Emphasis is placed upon the phase-space structures near secular resonances, which are of primary importance to the space debris community. We confirm and quantify the transition from order to chaos in MEO, stemming from the critical inclinations and find that highly inclined GEO orbits are particularly unstable. Despite their reputed normality, Earth satellite orbits can possess an extraordinarily rich spectrum of dynamical behaviors and, from a mathematical perspective, have all the complications that make them very interesting candidates for testing the modern tools of chaos theory.

High-order moments of spin-orbit energy in a multielectron configuration

Science.gov (United States)

Na, Xieyu; Poirier, M.

2016-07-01

In order to analyze the energy-level distribution in complex ions such as those found in warm dense plasmas, this paper provides values for high-order moments of the spin-orbit energy in a multielectron configuration. Using second-quantization results and standard angular algebra or fully analytical expressions, explicit values are given for moments up to 10th order for the spin-orbit energy. Two analytical methods are proposed, using the uncoupled or coupled orbital and spin angular momenta. The case of multiple open subshells is considered with the help of cumulants. The proposed expressions for spin-orbit energy moments are compared to numerical computations from Cowan's code and agree with them. The convergence of the Gram-Charlier expansion involving these spin-orbit moments is analyzed. While a spectrum with infinitely thin components cannot be adequately represented by such an expansion, a suitable convolution procedure ensures the convergence of the Gram-Charlier series provided high-order terms are accounted for. A corrected analytical formula for the third-order moment involving both spin-orbit and electron-electron interactions turns out to be in fair agreement with Cowan's numerical computations.

Orbital diamagnetism of a charged Brownian particle undergoing birth-death process

International Nuclear Information System (INIS)

Jayannawar, A.M.; Kumar, N.

1980-06-01

We consider the magnetic response of a charged Brownian particle undergoing a stochastic birth-death process. The latter simulates the electron-hole pair production and recombination in semiconductors. We obtain non-zero, orbital diamagnetism which can be large without violating the Van Leeuwen theorem. (author)

SU(2) x U(1) unified theory for charge, orbit and spin currents

International Nuclear Information System (INIS)

Jin Peiqing; Li Youquan; Zhang Fuchun

2006-01-01

Spin and charge currents in systems with Rashba or Dresselhaus spin-orbit couplings are formulated in a unified version of four-dimensional SU(2) x U(1) gauge theory, with U(1) being the Maxwell field and SU(2) being the Yang-Mills field. While the bare spin current is non-conserved, it is compensated by a contribution from the SU(2) gauge field, which gives rise to a spin torque in the spin transport, consistent with the semi-classical theory of Culcer et al. Orbit current is shown to be non-conserved in the presence of electromagnetic fields. Similar to the Maxwell field inducing forces on charge and charge current, we derive forces acting on spin and spin current induced by the Yang-Mills fields such as the Rashba and Dresselhaus fields and the sheer strain field. The spin density and spin current may be considered as a source generating Yang-Mills field in certain condensed matter systems

X-ray absorption measurements of charge-ordered La{sub 0.5}Sr{sub 1.5}MnO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Saitoh, T.; Villella, P.M.; Dessau, D.S. [Univ. of Colorado, Boulder, CO (United States)] [and others

1997-04-01

Perovskite and {open_quotes}layered perovskite{close_quotes}-type manganese oxides show a variety of electronic and magnetic properties such as the colossal magnetoresistance (CMR) or the charge ordering. Among them, La{sub 0.5}Sr{sub 1.5}MnO{sub 4} (K{sub 2}NiF{sub 4} structure) which has 0.5 holes per Mn site (d{sup 3.5}) shows the charge-order transition at {approximately}220 K below which Mn{sup 3+} and Mn{sup 4+} sites are believed to order in the CE-type. Although the charge ordering phenomenon has also been observed in the perovskite manganites Pr{sub 0.5}Sr{sub 1.5}MnO{sub 3} or Pr{sub 0.5}Ca{sub 1.5}MnO{sub 3}, the present system has another advantage that it has a layered structure. This enables the authors to address the issue of the orbital symmetry which should be directly related to the charge ordering. In this report, they present the results of x-ray absorption spectroscopy (XAS) on La{sub 0.5}Sr{sub 1.5}MnO{sub 4}, for two polarization angles and two (above and below the transition temperature T{sub CO}) temperatures.

Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

International Nuclear Information System (INIS)

Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

2004-01-01

Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order

On 3d bulk geometry of Virasoro coadjoint orbits: orbit invariant charges and Virasoro hair on locally AdS{sub 3} geometries

Energy Technology Data Exchange (ETDEWEB)

Sheikh-Jabbari, M.M. [Institute for Research in Fundamental Sciences (IPM), School of Physics, Tehran (Iran, Islamic Republic of); Yavartanoo, H. [Institute of Theoretical Physics, Chinese Academy of Sciences, State Key Laboratory of Theoretical Physics, Beijing (China)

2016-09-15

Expanding upon [arXiv:1404.4472, arXiv:1511.06079], we provide a further detailed analysis of Banados geometries, the most general solutions to the AdS{sub 3} Einstein gravity with Brown-Henneaux boundary conditions. We analyze in some detail the causal, horizon, and boundary structure, and the geodesic motion on these geometries, as well as the two classes of symplectic charges one can associate with these geometries: charges associated with the exact symmetries and the Virasoro charges. We elaborate on the one-to-one relation between the coadjoint orbits of two copies of the Virasoro group and Banados geometries. We discuss that the information as regards the Banados geometries falls into two categories: ''orbit invariant'' information and ''Virasoro hairs''. The former concerns geometric quantities, while the latter are specified by the non-local surface integrals. We elaborate on multi-BTZ geometries which have a number of disconnected pieces at the horizon bifurcation curve. We study multi-BTZ black hole thermodynamics and discuss that the thermodynamic quantities are orbit invariants. We also comment on the implications of our analysis for a 2d CFT dual which could possibly be dual to AdS{sub 3} Einstein gravity. (orig.)

Controlling the Orbital Sequence in Individual Cu-Phthalocyanine Molecules

NARCIS (Netherlands)

Uhlmann, C.; Swart, I.; Repp, J.

2013-01-01

We report on the controlled change of the energetic ordering of molecular orbitals. Negatively charged copper(II)phthalocyanine on NaCl/Cu(100) undergoes a Jahn–Teller distortion that lifts the degeneracy of two frontier orbitals. The energetic order of the levels can be controlled by Au and Ag

Charge ordering in two-dimensional ionic liquids

Science.gov (United States)

Perera, Aurélien; Urbic, Tomaz

2018-04-01

The structural properties of model two-dimensional (2D) ionic liquids are examined, with a particular focus on the charge ordering process, with the use of computer simulation and integral equation theories. The influence of the logarithmic form of the Coulomb interaction, versus that of a 3D screened interaction form, is analysed. Charge order is found to hold and to be analogous for both interaction models, despite their very different form. The influence of charge ordering in the low density regime is discussed in relation to well known properties of 2D Coulomb fluids, such as the Kosterlitz-Thouless transition and criticality. The present study suggests the existence of a stable thermodynamic labile cluster phase, implying the existence of a liquid-liquid "transition" above the liquid-gas binodal. The liquid-gas and Kosterlitz-Thouless transitions would then take place inside the predicted cluster phase.

Direct observation of the bandwidth-disorder induced variation of charge/orbital ordering structure in RE0.5(Ca1-ySry)1.5MnO4

International Nuclear Information System (INIS)

Yu, X Z; Arima, T; Kaneko, Y; He, J P; Mathieu, R; Asaka, T; Hara, T; Kimoto, K; Matsui, Y; Tokura, Y

2007-01-01

Changes in the charge/orbital ordering (CO/OO) structure with the bandwidth of the e g band and quenched disorder were investigated in doped manganites RE 0.5 (Ca 1-y Sr y ) 1.5 MnO 4 (RE = Pr,Eu) with a single-layer perovskite structure. A systematic study of the modulation structure associated with the CO/OO phase demonstrated that the long-range commensurate structure changes to a short-range incommensurate structure with increasing Sr content through the enhancement of the bandwidth and quenched disorder in these systems. At the same time, the transition temperature of CO/OO (T CO/OO ) decreases. Changes in structure and T CO/OO with different A-site combinations reveal that the CO/OO phase is strongly suppressed by the widening of the e g band and the stronger quenched disorder in these layered manganites. (fast track communication)

Quantum-orbit theory of high-order atomic processes in strong fields

International Nuclear Information System (INIS)

Milosevic, D.B.

2005-01-01

Full text: Atoms submitted to strong laser fields can emit electrons and photons of very high energies. These processes find a highly intuitive and also quantitative explanation in terms of Feynman's path integral and the concept of quantum orbits. The quantum-orbit formalism is particularly useful for high-order atomic processes in strong laser fields. For such multi-step processes there is an intermediate step during which the electron is approximately under the influence of the laser field only and can absorb energy from the field. This leads to the appearance of the plateau structures in the emitted electron or photon spectra. Usual examples of such processes are high-order harmonic generation (HHG) and high-order above threshold ionization (HATI). These structures were also observed in high-order above-threshold detachment, laser-assisted x-ray-atom scattering, laser-assisted electron-ion recombination, and electron-atom scattering. We will present high-order strong-field approximation (SFA) and show how the quantum-orbit formalism follows from it. This will be done for various above-mentioned processes. For HHG a classification of quantum orbits will be given [10) and generalized to the presence of a static field. The low-energy part of the HHG spectra and the enhancement of HHG near the channel closings can be explained taking into account a large number of quantum orbits. For HATI we will concentrate on the case of few-cycle laser pulse. The influence of the carrier-envelope relative phase on the HATI spectrum can easily be explained in terms of quantum orbits. The SFA and the quantum-orbit results will be compared with the results obtained by Dieter Bauer using ab initio solutions of the time-dependent Schroedinger equation. It will be shown that the Coulomb effects are important for low-energy electron spectra. Refs. 11 (author)

Charge transport in 2DEG/s-wave superconductor junction with Dresselhaus-type spin-orbit coupling

International Nuclear Information System (INIS)

Sawa, Y.; Yokoyama, T.; Tanaka, Y.

2007-01-01

We study spin-dependent charge transport in superconducting junctions. We consider ballistic two-dimensional electron gas (2DEG)/s-wave superconductor junctions with Dresselhaus-type spin-orbit coupling (DSOC). We calculate the conductance normalized by that in the normal state of superconductor in order to study the effect of DSOC in 2DEG on conductance, changing the height of insulating barrier. We find the DSOC suppresses the conductance for low insulating barrier, while it can slightly enhance the conductance for high insulating barrier. It has a reentrant dependence on DSOC for middle strength insulating barrier. The effect of DSOC is weaken as the insulating barrier becomes high

Doping dependence of charge order in electron-doped cuprate superconductors

Science.gov (United States)

Mou, Yingping; Feng, Shiping

2017-12-01

In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.

Five Stereoactive Orbitals on Silicon: Charge and Spin Localization in the n-Si4Me10(-•) Radical Anion by Trigonal Bipyramidalization.

Science.gov (United States)

MacLeod, Matthew K; Michl, Josef

2013-05-16

RIUMP2/def2-TZVPPD calculations show that in addition to its usual conformation with charge and spin delocalized over the Si backbone, the isolated Si4Me10(-•) radical anion also has isomeric conformations with localized charge and spin. A structure with localization on a terminal Si atom has been examined in detail. In vacuum, it is calculated to lie 11.5 kcal/mol higher in energy than the charge-and-spin delocalized conformation, and in water the difference is as little as 1.6 kcal/mol. According to natural orbital and localized orbital analyses, the charge-and-spin-carrying terminal Si atom uses five stereoactive hybrid orbitals in a trigonal bipyramidal geometry. Four are built mostly from 3s and 3p atomic orbitals (AOs) and are used to attach a Si3(CH3)7 and three CH3 groups, whereas the larger equatorial fifth orbital is constructed from 4s and 4p AOs and acts as a nonbonding (radical) hybrid orbital with an occupancy of about 0.65 e.

First- and second-order charged particle optics

International Nuclear Information System (INIS)

Brown, K.L.; Servranckx, R.V.

1984-07-01

Since the invention of the alternating gradient principle there has been a rapid evolution of the mathematics and physics techniques applicable to charged particle optics. In this publication we derive a differential equation and a matrix algebra formalism valid to second-order to present the basic principles governing the design of charged particle beam transport systems. A notation first introduced by John Streib is used to convey the essential principles dictating the design of such beam transport systems. For example the momentum dispersion, the momentum resolution, and all second-order aberrations are expressed as simple integrals of the first-order trajectories (matrix elements) and of the magnetic field parameters (multipole components) characterizing the system. 16 references, 30 figures

Multiferroic nature of charge-ordered rare earth manganites

International Nuclear Information System (INIS)

Serrao, Claudy Rayan; Sundaresan, A; Rao, C N R

2007-01-01

Charge-ordered rare earth manganites Nd 0.5 Ca 0.5 MnO 3 ,La 0.25 Nd 0.25 Ca 0.5 MnO 3 , Pr 0.7 Ca 0.3 MnO 3 and Pr 0.6 Ca 0.4 MnO 3 are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers

Bandstructure study of magnetic and orbital order in BaCoO3

International Nuclear Information System (INIS)

Pardo, V.; Blaha, P.; Iglesias, M.; Baldomir, D.; Schwarz, K.; Pereiro, M.; Botana, J.; Arias, J.E.

2005-01-01

Ab initio calculations were performed in the quasi-one-dimensional BaCoO 3 using the FP-APW+lo method as implemented in the WIEN2k package utilizing the LDA+U approach. Several magnetic configurations were studied, exploring different intra- and inter-chain couplings. The most stable configuration is the ferromagnetic low-spin state. The electronic structure of the Co 4+ ion (t 2g 5 ) has an orbital degree of freedom. When an 'alternating-orbital' ordering is allowed along the Co chains, the energy of the system is drastically reduced, whereas the magnetic order is a secondary effect. This orbital ordered state reproduces the experimentally found semiconducting behaviour, which is analysed studying the bandstructure of the material

Effect of ionic size on the orbital ordering transition in RMnO3+δ

NARCIS (Netherlands)

Maris, G.; Volotchaev, V.; Palstra, T.T.M.

2004-01-01

We present high-temperature powder x-ray diffraction data of the orbital-order-induced structural distortion of RMnO3, with R a rare earth element. The associated phase transition takes place in a temperature interval of ≈200K in which the orbitally ordered phase and the orbitally disordered phase

Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems.

Science.gov (United States)

Hwang, Sang-Yeon; Kim, Jaewook; Kim, Woo Youn

2018-04-04

In theoretical charge-transfer research, calculation of the electronic coupling element is crucial for examining the degree of the electronic donor-acceptor interaction. The tunneling current (TC), representing the magnitudes and directions of electron flow, provides a way of evaluating electronic couplings, along with the ability of visualizing how electrons flow in systems. Here, we applied the TC theory to π-conjugated organic dimer systems, in the form of our fragment-orbital tunneling current (FOTC) method, which uses the frontier molecular-orbitals of system fragments as diabatic states. For a comprehensive test of FOTC, we assessed how reasonable the computed electronic couplings and the corresponding TC densities are for the hole- and electron-transfer databases HAB11 and HAB7. FOTC gave 12.5% mean relative unsigned error with regard to the high-level ab initio reference. The shown performance is comparable with that of fragment-orbital density functional theory, which gave the same error by 20.6% or 13.9% depending on the formulation. In the test of a set of nucleobase π stacks, we showed that the original TC expression is also applicable to nondegenerate cases under the condition that the overlap between the charge distributions of diabatic states is small enough to offset the energy difference. Lastly, we carried out visual analysis on the FOTC densities of thiophene dimers with different intermolecular alignments. The result depicts an intimate topological connection between the system geometry and electron flow. Our work provides quantitative and qualitative grounds for FOTC, showing it to be a versatile tool in characterization of molecular charge-transfer systems.

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals - II. Application to Fe2+ --> Ti4+ charge transfer transitions in oxides and silicates

Science.gov (United States)

Sherman, David M.

1987-01-01

A molecular orbital description, based on Xα-Scattered wave calculations on a (FeTiO10)14− cluster, is given for Fe2+ → Ti4+ charge transfer transitions in minerals. The calculated energy for the lowest Fe2+ → Ti4+ metal-metal charge transfer transition is 18040 cm−1 in reasonable agreement with energies observed in the optical spectra of Fe-Ti oxides and silicates. As in the case of Fe2+ → Fe3+ charge transfer in mixed-valence iron oxides and silicates, Fe2+ → Ti4+ charge transfer is associated with Fe-Ti bonding across shared polyhedral edges. Such bonding results from the overlap of the Fe(t 2g ) and Ti(t 2g ) 3d orbitals.

Multiferroic nature of charge-ordered rare earth manganites

Energy Technology Data Exchange (ETDEWEB)

Serrao, Claudy Rayan [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Sundaresan, A [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Rao, C N R [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India)

2007-12-12

Charge-ordered rare earth manganites Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3},La{sub 0.25}Nd{sub 0.25}Ca{sub 0.5}MnO{sub 3}, Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} and Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers.

A novel magnetoresistance induced by charge ordering in ferromagnetic/charge-ordered/ferromagnetic trilayers

Science.gov (United States)

Wang, Haiou; Li, Jinwei; Su, Kunpeng; Huo, Dexuan; Tan, Weishi

2015-10-01

Microstructure, magnetoresistance (MR) and magnetic properties of Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO3 trilayers, which are shown to be tunable with different La0.5Ca0.5MnO3 spacer thickness, are investigated. The trilayer with 6 nm thick La0.5Ca0.5MnO3 spacer show \\text{MR}∼37{%} at 195 K in 1 T and \\text{MR}∼80{%} at 220 K in 9 T, which is realized through the double-exchange mechanism. In contrast, trilayers with the thicker La0.5Ca0.5MnO3 spacer show enhanced MR at a wide low-temperature range. The obtained \\text{MR}∼52{%} at 50 K in 1 T in the trilayer with 18 nm thick La0.5Ca0.5MnO3 spacer is superior to that of other magnetic nanoscales. We surmise that this MR originates in the ferromagnetic/antiferromagnetic competition accompanied with the formation of a charge-ordered antiferromagnetic state and the collapse of the charge-ordered state at the applied magnetic field, rather than in the double-exchange mechanism. Large and tunable MR can be realized by controlling the strain state (the thickness of the La0.5Ca0.5MnO3 spacer), which can be applied in the used devices.

Stress Induced Charge-Ordering Process in LiMn_2O_4

International Nuclear Information System (INIS)

Chen, Yan; Yu, Dunji; An, Ke

2016-01-01

In this letter we report the stress-induced Mn charge-ordering process in the LiMn_2O_4 spinel, evidenced by the lattice strain evolutions due to the Jahn–Teller effects. In situ neutron diffraction reveals the initial stage of this process at low stress, indicating the eg electron localization at the preferential Mn sites during the early phase transition as an underlying charge-ordering mechanism in the charge-frustrated LiMn_2O_4. The initial stage of this transition exhibits as a progressive lattice and charge evolution, without showing a first-order behavior.

Ferroelectric ferrimagnetic LiFe2F6 : Charge-ordering-mediated magnetoelectricity

Science.gov (United States)

Lin, Ling-Fang; Xu, Qiao-Ru; Zhang, Yang; Zhang, Jun-Jie; Liang, Yan-Ping; Dong, Shuai

2017-12-01

Trirutile-type LiFe2F6 is a charge-ordered material with an Fe2 +/Fe3 + configuration. Here, its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On one hand, the charge ordering leads to improper ferroelectricity with a large polarization. On the other hand, its magnetic ground state can be tuned from the antiferromagnetic to ferrimagnetic by moderate compressive strain. Thus, LiFe2F6 can be a rare multiferroic with both large magnetization and polarization. Most importantly, since the charge ordering is the common ingredient for both ferroelectricity and magnetization, the net magnetization may be fully switched by flipping the polarization, rendering intrinsically strong magnetoelectric effects and desirable functions.

Theoretical study of orbital ordering induced structural phase transition in iron pnictides

Energy Technology Data Exchange (ETDEWEB)

Jena, Sushree Sangita, E-mail: sushree@iopb.res.in; Rout, G. C., E-mail: gcr@iopb.res.in [Physics Enclave, Plot No-664/4825, Lane-4A, Shree Vihar, Bhubaneswar-24, Odisha (India); Panda, S. K., E-mail: skp@iopb.res.in

2016-05-06

We attribute the structural phase transition (SPT) in the parent compounds of the iron pnictides to orbital ordering. Due to anisotropy of the d{sub xz} and d{sub yz} orbitals in the xy plane, orbital ordering makes the orthorhombic structure more favorable and thus inducing the SPT. We consider a one band model Hamiltonian consisting of first and second-nearest-neighbor hopping of the electrons. We introduce Jahn-Tellar (JT) distortion in the system arising due to the orbital ordering present in this system. We calculate the electron Green’s function by using Zuvareb’s Green’s function technique and hence calculate an expression for the temperature dependent lattice strain which is computed numerically and self-consistently. The temperature dependent electron specific heat is calculated by minimizing the free energy of the system. The lattice strain is studied by varying the JT coupling and elastic constant of the system. The structural anomaly is studied through the electron occupation number and the specific heat by varying the physical parameters like JT coupling, lattice constant, chemical potential and hopping integrals of the system.

Dirac spin-orbit torques and charge pumping at the surface of topological insulators

KAUST Repository

Ndiaye, Papa Birame

2017-07-07

We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

Dirac spin-orbit torques and charge pumping at the surface of topological insulators

Science.gov (United States)

Ndiaye, Papa B.; Akosa, C. A.; Fischer, M. H.; Vaezi, A.; Kim, E.-A.; Manchon, A.

2017-07-01

We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

Dirac spin-orbit torques and charge pumping at the surface of topological insulators

KAUST Repository

Ndiaye, Papa Birame; Akosa, Collins Ashu; Fischer, M. H.; Vaezi, A.; Kim, E.-A.; Manchon, Aurelien

2017-01-01

We address the nature of spin-orbit torques at the magnetic surfaces of topological insulators using the linear-response theory. We find that the so-called Dirac torques in such systems possess a different symmetry compared to their Rashba counterpart, as well as a high anisotropy as a function of the magnetization direction. In particular, the damping torque vanishes when the magnetization lies in the plane of the topological-insulator surface. We also show that the Onsager reciprocal of the spin-orbit torque, the charge pumping, induces an enhanced anisotropic damping. Via a macrospin model, we numerically demonstrate that these features have important consequences in terms of magnetization switching.

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

International Nuclear Information System (INIS)

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

1985-01-01

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

Orbit covariance propagation via quadratic-order state transition matrix in curvilinear coordinates

Science.gov (United States)

Hernando-Ayuso, Javier; Bombardelli, Claudio

2017-09-01

In this paper, an analytical second-order state transition matrix (STM) for relative motion in curvilinear coordinates is presented and applied to the problem of orbit uncertainty propagation in nearly circular orbits (eccentricity smaller than 0.1). The matrix is obtained by linearization around a second-order analytical approximation of the relative motion recently proposed by one of the authors and can be seen as a second-order extension of the curvilinear Clohessy-Wiltshire (C-W) solution. The accuracy of the uncertainty propagation is assessed by comparison with numerical results based on Monte Carlo propagation of a high-fidelity model including geopotential and third-body perturbations. Results show that the proposed STM can greatly improve the accuracy of the predicted relative state: the average error is found to be at least one order of magnitude smaller compared to the curvilinear C-W solution. In addition, the effect of environmental perturbations on the uncertainty propagation is shown to be negligible up to several revolutions in the geostationary region and for a few revolutions in low Earth orbit in the worst case.

Percolative transport in the vicinity of charge-order ferromagnetic ...

Indian Academy of Sciences (India)

field driven charge transport in the system is modelled on the basis of an inhomogeneous medium consisting of ... The charge-ordered phase for incommensurate distribution of man- ganese ions (i.e. ... position x = 0.35 measured in a constant voltage mode. The electric ... a drop in resistance on decreasing the temperature.

Phonon Dispersion and the Competition between Pairing and Charge Order

Science.gov (United States)

Costa, N. C.; Blommel, T.; Chiu, W.-T.; Batrouni, G.; Scalettar, R. T.

2018-05-01

The Holstein model describes the interaction between fermions and a collection of local (dispersionless) phonon modes. In the dilute limit, the phonon degrees of freedom dress the fermions, giving rise to polaron and bipolaron formation. At higher densities, the phonons mediate collective superconducting (SC) and charge-density wave (CDW) phases. Quantum Monte Carlo (QMC) simulations have considered both these limits but have not yet focused on the physics of more general phonon spectra. Here we report QMC studies of the role of phonon dispersion on SC and CDW order in such models. We quantify the effect of finite phonon bandwidth and curvature on the critical temperature Tcdw for CDW order and also uncover several novel features of diagonal long-range order in the phase diagram, including a competition between charge patterns at momenta q =(π ,π ) and q =(0 ,π ) which lends insight into the relationship between Fermi surface nesting and the wave vector at which charge order occurs. We also demonstrate SC order at half filling in situations where a nonzero bandwidth sufficiently suppresses Tcdw.

Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method

International Nuclear Information System (INIS)

Xu, Peng; Gordon, Mark S.

2013-01-01

The charge transfer (CT) interaction, the most time-consuming term in the general effective fragment potential method, is made much more computationally efficient. This is accomplished by the projection of the quasiatomic minimal-basis-set orbitals (QUAMBOs) as the atomic basis onto the self-consistent field virtual molecular orbital (MO) space to select a subspace of the full virtual space called the valence virtual space. The diagonalization of the Fock matrix in terms of QUAMBOs recovers the canonical occupied orbitals and, more importantly, gives rise to the valence virtual orbitals (VVOs). The CT energies obtained using VVOs are generally as accurate as those obtained with the full virtual space canonical MOs because the QUAMBOs span the valence part of the virtual space, which can generally be regarded as “chemically important.” The number of QUAMBOs is the same as the number of minimal-basis MOs of a molecule. Therefore, the number of VVOs is significantly smaller than the number of canonical virtual MOs, especially for large atomic basis sets. This leads to a dramatic decrease in the computational cost

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

Science.gov (United States)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

Charge-order driven multiferroic and magneto-dielectric properties of rare earth manganates

International Nuclear Information System (INIS)

Serrao, Claudy Rayan; Sahu, Jyoti Ranjan; Ghosh, Anirban

2010-01-01

Charge-order driven magnetic ferroelectricity is shown to occur in several rare earth manganates of the general formula, Ln 1-x A x MnO 3 (Ln rare earth, A = alkaline earth). Charge-ordered manganates exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperature. Magnetic fields have a marked effect on the dielectric properties of these compounds, indicating the presence of coupling between the magnetic and electrical order parameters. Magneto-dielectric properties are retained in small particles of the manganates. The observation of magneto-ferroelectricity in these manganates is in accordance with theoretical predictions. (author)

Optical spin-to-orbital angular momentum conversion in ultra-thin metasurfaces with arbitrary topological charges

Energy Technology Data Exchange (ETDEWEB)

Bouchard, Frédéric; De Leon, Israel; Schulz, Sebastian A.; Upham, Jeremy; Karimi, Ebrahim, E-mail: ekarimi@uottawa.ca [Department of Physics, University of Ottawa, 25 Templeton, Ottawa, Ontario K1N 6N5 Canada (Canada); Boyd, Robert W. [Department of Physics, University of Ottawa, 25 Templeton, Ottawa, Ontario K1N 6N5 Canada (Canada); Institute of Optics, University of Rochester, Rochester, New York 14627 (United States)

2014-09-08

Orbital angular momentum associated with the helical phase-front of optical beams provides an unbounded “space” for both classical and quantum communications. Among the different approaches to generate and manipulate orbital angular momentum states of light, coupling between spin and orbital angular momentum allows a faster manipulation of orbital angular momentum states because it depends on manipulating the polarisation state of light, which is simpler and generally faster than manipulating conventional orbital angular momentum generators. In this work, we design and fabricate an ultra-thin spin-to-orbital angular momentum converter, based on plasmonic nano-antennas and operating in the visible wavelength range that is capable of converting spin to an arbitrary value of orbital angular momentum ℓ. The nano-antennas are arranged in an array with a well-defined geometry in the transverse plane of the beam, possessing a specific integer or half-integer topological charge q. When a circularly polarised light beam traverses this metasurface, the output beam polarisation switches handedness and the orbital angular momentum changes in value by ℓ=±2qℏ per photon. We experimentally demonstrate ℓ values ranging from ±1 to ±25 with conversion efficiencies of 8.6% ± 0.4%. Our ultra-thin devices are integratable and thus suitable for applications in quantum communications, quantum computations, and nano-scale sensing.

Optical spin-to-orbital angular momentum conversion in ultra-thin metasurfaces with arbitrary topological charges

International Nuclear Information System (INIS)

Bouchard, Frédéric; De Leon, Israel; Schulz, Sebastian A.; Upham, Jeremy; Karimi, Ebrahim; Boyd, Robert W.

2014-01-01

Orbital angular momentum associated with the helical phase-front of optical beams provides an unbounded “space” for both classical and quantum communications. Among the different approaches to generate and manipulate orbital angular momentum states of light, coupling between spin and orbital angular momentum allows a faster manipulation of orbital angular momentum states because it depends on manipulating the polarisation state of light, which is simpler and generally faster than manipulating conventional orbital angular momentum generators. In this work, we design and fabricate an ultra-thin spin-to-orbital angular momentum converter, based on plasmonic nano-antennas and operating in the visible wavelength range that is capable of converting spin to an arbitrary value of orbital angular momentum ℓ. The nano-antennas are arranged in an array with a well-defined geometry in the transverse plane of the beam, possessing a specific integer or half-integer topological charge q. When a circularly polarised light beam traverses this metasurface, the output beam polarisation switches handedness and the orbital angular momentum changes in value by ℓ=±2qℏ per photon. We experimentally demonstrate ℓ values ranging from ±1 to ±25 with conversion efficiencies of 8.6% ± 0.4%. Our ultra-thin devices are integratable and thus suitable for applications in quantum communications, quantum computations, and nano-scale sensing.

The Coupled Orbit-Attitude Dynamics and Control of Electric Sail in Displaced Solar Orbits

Directory of Open Access Journals (Sweden)

Mingying Huo

2017-01-01

Full Text Available Displaced solar orbits for spacecraft propelled by electric sails are investigated. Since the propulsive thrust is induced by the sail attitude, the orbital and attitude dynamics of electric-sail-based spacecraft are coupled and required to be investigated together. However, the coupled dynamics and control of electric sails have not been discussed in most published literatures. In this paper, the equilibrium point of the coupled dynamical system in displaced orbit is obtained, and its stability is analyzed through a linearization. The results of stability analysis show that only some of the orbits are marginally stable. For unstable displaced orbits, linear quadratic regulator is employed to control the coupled attitude-orbit system. Numerical simulations show that the proposed strategy can control the coupled system and a small torque can stabilize both the attitude and orbit. In order to generate the control force and torque, the voltage distribution problem is studied in an optimal framework. The numerical results show that the control force and torque of electric sail can be realized by adjusting the voltage distribution of charged tethers.

Localization of holes near charged defects in orbitally degenerate, doped Mott insulators

Science.gov (United States)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-05-01

We study the role of charged defects, disorder and electron-electron (e-e) interactions in a multiband model for t2g electrons in vanadium perovskites R1-xCaxVO3 (R = La,…,Y). By means of unrestricted Hartree-Fock calculations, we find that the atomic multiplet structure persists up to 50% Ca doping. Using the inverse participation number, we explore the degree of localization and its doping dependence for all electronic states. The observation of strongly localized wave functions is consistent with our conjecture that doped holes form spin-orbital polarons that are strongly bound to the charged Ca2+ defects. Interestingly, the long-range e-e interactions lead to a discontinuity in the wave function size across the chemical potential, where the electron removal states are more localized than the addition states.

Ferro and antiferro orbital ordering in Fe{sub 0.5}Mn{sub 0.5}V{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Dey, Dibyendu, E-mail: dibyendu@phy.iitkgp.ernet.in; Taraphder, A. [Department of Physics, Indian Institute of Technology, Kharagpur 721302 (India); Maitra, T. [Department of Physics, Indian Institute of Technology, Roorkee 247667 (India)

2016-05-23

Using density functional theory calculations, we have investigated the orbital ordering in Fe{sub 0.5}Mn{sub 0.5}V{sub 2}O{sub 4} where Fe and V sites are orbitally active. Our first principles study within GGA+U and GGA+U+SO shows ferro-orbital ordering of d{sub x2−y2} orbital at all Fe sites, whereas A-type antiferro-orbital ordering at V sites where one 3d electron occupies d{sub xy} orbital at every V site and another electron occupies either 1/√2 (d{sub xz} + d{sub yz}) or 1/√2 (d{sub xz} - d{sub yz}) orbital alternatively along c axis. Insulating nature and the orbital ordering of this compound are found to be correlation driven while the effect of spin-orbit interaction on orbital ordering is not significant.

Spin flip due to the spin–orbit interaction of colliding slow charged particles

International Nuclear Information System (INIS)

Sasorov, P. V.; Fomin, I. V.

2017-01-01

The scattering amplitudes of point charged particles is calculated analytically taking into account the spin–orbit interaction. We have considered two cases typical of a hydrogen-like plasma: scattering of an electron by a heavy ion and scattering of an electron by a free electron. The results have been obtained taking into account the ranges of low collision energies smaller than α"2m_ec"2, where α is the fine structure constant.

Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd0.5Ca0.5MnO3 under the influence of ac electric field

Science.gov (United States)

Sarwar, T.; Qamar, A.; Nadeem, M.

2017-07-01

Dynamics of spin ordering in the manganite Nd0.5Ca0.5MnO3 have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (TN) and complete charge ordering at 250 K (TCO). Under ac field, appearance of unstable ferromagnetic correlations is observed above TCO, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below TN.

The energetics of ordered intermetallic alloys (of the transition metals)

International Nuclear Information System (INIS)

Watson, R.E.; Weinert, M.; Davenport, J.W.; Fernando, G.W.; Bennett, L.H.

1992-01-01

The atomically ordered phases in ordered transition metal alloys are discussed. This chapter is divided into: physical parameters controlling phase stability (Hume-Rothery, structural maps, Miedema Hamiltonian), wave functions ampersand band theory, comment on entropy terms, cohesive energies (electron promotion energies, Hund's rule on orbital effects), structural energies/stabilities of elemental solids, total energies and atomic positions, charge transfer (Au alloys, charge tailing), heats of formation of ordered compounds

Evaluation of electrostatic charge effects on the data processing system and the orbiter communication and tracking receivers

Science.gov (United States)

Lawton, R. M.

1975-01-01

An analysis of radiated interference test results obtained from frictionally charged Orbiter TPS tile was presented. The tests included the measurement of noise pick-up by Orbiter S-band, L-band, C-band, and Ku-band antennas located beneath the tiles in a manner simulating their installation on Orbiter. In addition, the radiated field characteristics resulting from the static discharge was determined. The results are analyzed as to their effect on data bus equipment and on Orbiter Communications and Tracking (C&T) receivers. It was concluded that the radiated interference should have no effect on MDM's. However the CPU, IOP and PMU enclosures require some minor modification to assure immunity from P-static interference. Orbiter antenna tests indicate that the S-band receiver should not be affected by P-static noise. The TACAN and Radar Altimeter performance appears to be adequate but with a small margin. MSBLS performance is uncertain because laboratory instrumentation cannot approach the MSBLS sensitivity.

Orbital angular momentum of a high-order Bessel light beam

International Nuclear Information System (INIS)

Volke-Sepulveda, K; Garces-Chavez, V; Chavez-Cerda, S; Arlt, J; Dholakia, K

2002-01-01

The orbital angular momentum density of Bessel beams is calculated explicitly within a rigorous vectorial treatment. This allows us to investigate some aspects that have not been analysed previously, such as the angular momentum content of azimuthally and radially polarized beams. Furthermore, we demonstrate experimentally the mechanical transfer of orbital angular momentum to trapped particles in optical tweezers using a high-order Bessel beam. We set transparent particles of known dimensions into rotation, where the sense of rotation can be reversed by changing the sign of the singularity. Quantitative results are obtained for rotation rates. This paper's animations are available from the Multimedia Enhancements page

Higher order sliding mode control of laser pointing for orbital debris mitigation

Science.gov (United States)

Palosz, Arthur

This thesis explores the use of a space-based laser to clean up small orbital debris from near Earth space. This system's challenge is to quickly and precisely aim the laser beam at very small (laser beam onto the orbital debris. A Kalman Filter (KF) is designed to accurately track the orbital debris and generate a command signal for the controller. A second order Super Twisting Sliding Mode Controller (2-SMC) is designed to follow the command signal generated by the KF and to overcome the parametric uncertainties and external disturbances. The performance of the system is validated with a computer simulation created in MATLAB and Simulink.

Orbits 2nd order singularity-free solutions

CERN Document Server

Xu, Guochang

2014-01-01

In its 2nd edition, this book covers the theory of satellite orbits, derives the complete solutions of orbital disturbances, describes the algorithms of orbits determination and the applications of the theory to the phenomenon of physical satellite formation.

High-order space charge effects using automatic differentiation

International Nuclear Information System (INIS)

Reusch, Michael F.; Bruhwiler, David L.

1997-01-01

The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach

Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis

NARCIS (Netherlands)

Helmich-Paris, B.; Knecht, Stefan

2017-01-01

In the present article, we show how to formulate the partially contracted n-electron valence second-order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of orbital-energy denominators (OEDs). As atomic-orbital (AO) basis

Spin-orbit-coupling induced torque in ballistic domain walls: Equivalence of charge-pumping and nonequilibrium magnetization formalisms

NARCIS (Netherlands)

Yuan, Z.; Kelly, Paul J.

2016-01-01

To study the effect of spin-orbit coupling (SOC) on spin-transfer torque in magnetic materials, we have implemented two theoretical formalisms that can accommodate SOC. Using the “charge-pumping” formalism, we find two contributions to the out-of-plane spin-transfer torque parameter β in ballistic

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

Science.gov (United States)

Bozkaya, Uǧur; Turney, Justin M.; Yamaguchi, Yukio; Schaefer, Henry F.; Sherrill, C. David

2011-09-01

Using a Lagrangian-based approach, we present a more elegant derivation of the equations necessary for the variational optimization of the molecular orbitals (MOs) for the coupled-cluster doubles (CCD) method and second-order Møller-Plesset perturbation theory (MP2). These orbital-optimized theories are referred to as OO-CCD and OO-MP2 (or simply "OD" and "OMP2" for short), respectively. We also present an improved algorithm for orbital optimization in these methods. Explicit equations for response density matrices, the MO gradient, and the MO Hessian are reported both in spin-orbital and closed-shell spin-adapted forms. The Newton-Raphson algorithm is used for the optimization procedure using the MO gradient and Hessian. Further, orbital stability analyses are also carried out at correlated levels. The OD and OMP2 approaches are compared with the standard MP2, CCD, CCSD, and CCSD(T) methods. All these methods are applied to H2O, three diatomics, and the O_4^+ molecule. Results demonstrate that the CCSD and OD methods give nearly identical results for H2O and diatomics; however, in symmetry-breaking problems as exemplified by O_4^+, the OD method provides better results for vibrational frequencies. The OD method has further advantages over CCSD: its analytic gradients are easier to compute since there is no need to solve the coupled-perturbed equations for the orbital response, the computation of one-electron properties are easier because there is no response contribution to the particle density matrices, the variational optimized orbitals can be readily extended to allow inactive orbitals, it avoids spurious second-order poles in its response function, and its transition dipole moments are gauge invariant. The OMP2 has these same advantages over canonical MP2, making it promising for excited state properties via linear response theory. The quadratically convergent orbital-optimization procedure converges quickly for OMP2, and provides molecular properties that

Charge Order in (TMTTF)2TaF6 by Infrared Spectroscopy

Science.gov (United States)

Oka, Yuki; Matsunaga, Noriaki; Nomura, Kazushige; Kawamoto, Atsuhi; Yamamoto, Kaoru; Yakushi, Kyuya

2015-11-01

We have performed infrared spectroscopy in (TMTTF)2TaF6 (TMTTF: tetramethyltetrathiafulvalene) to investigate the relationship between the charge order (CO) state and the antiferromagnetic (AF) insulating ground state. A clear peak splitting corresponding to the charge disproportionation was observed below the CO transition temperature. We estimated the degree of charge disproportionation, Δρ = ρrich - ρpoor, as 0.28e from the peak splitting and found that the CO state coexists with the AF state and there is no charge redistribution below the AF transition.

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

Energy Technology Data Exchange (ETDEWEB)

Spencer, J.; Gajdos, F.; Blumberger, J., E-mail: j.blumberger@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

2016-08-14

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on the adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

Science.gov (United States)

Spencer, J.; Gajdos, F.; Blumberger, J.

2016-08-01

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on the adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.

Competing orbital ordering in RVO3 compounds: High-resolution x-ray diffraction and thermal expansion

International Nuclear Information System (INIS)

Sage, M. H.; Blake, G. R.; Palstra, T. T. M.; Marquina, C.

2007-01-01

We report evidence for the phase coexistence of orbital orderings of different symmetry in RVO 3 compounds with intermediate-size rare earths. Through a study by high-resolution x-ray powder diffraction and thermal expansion, we show that the competing orbital orderings are associated with the magnitude of the VO 6 octahedral tilting and magnetic exchange striction in these compounds and that the phase-separated state is stabilized by lattice strains

Radiation-reaction force on a small charged body to second order

Science.gov (United States)

Moxon, Jordan; Flanagan, Éanna

2018-05-01

In classical electrodynamics, an accelerating charged body emits radiation and experiences a corresponding radiation-reaction force, or self-force. We extend to higher order in the total charge a previous rigorous derivation of the electromagnetic self-force in flat spacetime by Gralla, Harte, and Wald. The method introduced by Gralla, Harte, and Wald computes the self-force from the Maxwell field equations and conservation of stress-energy in a limit where the charge, size, and mass of the body go to zero, and it does not require regularization of a singular self-field. For our higher-order computation, an adjustment of the definition of the mass of the body is necessary to avoid including self-energy from the electromagnetic field sourced by the body in the distant past. We derive the evolution equations for the mass, spin, and center-of-mass position of the body through second order. We derive, for the first time, the second-order acceleration dependence of the evolution of the spin (self-torque), as well as a mixing between the extended body effects and the acceleration-dependent effects on the overall body motion.

High-order space charge effects using automatic differentiation

International Nuclear Information System (INIS)

Reusch, M.F.; Bruhwiler, D.L.; Computer Accelerator Physics Conference Williamsburg, Virginia 1996)

1997-01-01

The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach. copyright 1997 American Institute of Physics

Ordering and low energy excitations in strongly correlated bronzes

NARCIS (Netherlands)

Sagara, Dodderi Manjunatha

2006-01-01

Summary In any solid system, whether it is superconducting, shows a charge-density-wave behavior, or any other kind of ground state, two aspects drag the attention of the scientific community. They are order and excitations in solids. The ordering may be due to electronic, lattice, spin or orbital

Mean-field study of correlation-induced antisymmetric spin-orbit coupling in a two-orbital honeycomb model

Science.gov (United States)

Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

2018-05-01

We investigate a two-orbital Hubbard model on a honeycomb structure, with a special focus on the antisymmetric spin-orbit coupling (ASOC) induced by symmetry breaking in the electronic degrees of freedom. By investigating the ground-state phase diagram by the mean-field approximation in addition to the analysis in the strong correlation limit, we obtain a variety of symmetry-broken phases that induce different types of effective ASOCs by breaking of spatial inversion symmetry. We find several unusual properties emergent from the ASOCs, such as a linear magnetoelectric effect in a spin-orbital ordered phase at 1/4 filling and a spin splitting in the band structure in charge ordered phases at 1/4 and 1/2 fillings. We also show that a staggered potential on the honeycomb structure leads to another type of ASOC, which gives rise to a valley splitting in the band structure at 1/2 filling. We discuss the experimental relevance of our results to candidate materials including transition metal dichalcogenides and trichalcogenides.

Shape invariant higher-order Bessel-like beams carrying orbital angular momentum

CSIR Research Space (South Africa)

Ismail, Y

2012-09-01

Full Text Available -1 Journal of Optics September 2012/ Vol. 14 Shape invariant higher-order Bessel-like beams carrying orbital angular momentum Y Ismail1,2, N Khilo3, V Belyi3 and A Forbes1,2 1 School of Physics, University of KwaZulu-Natal, Private Bag X54001...

Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior

Science.gov (United States)

Allieta, M.; Scavini, M.; Lo Presti, L.; Coduri, M.; Loconte, L.; Cappelli, S.; Oliva, C.; Ghigna, P.; Pattison, P.; Scagnoli, V.

2013-12-01

We present a detailed study on the charge ordering transition in a GdBaCo2O5.0 system by combining high-resolution synchrotron powder/single-crystal diffraction with electron paramagnetic resonance experiments as a function of temperature. We found a second-order structural phase transition at TCO = 247 K (Pmmm to Pmma) associated with the onset of long-range charge ordering. At Tmin ≈ 1.2TCO, the electron paramagnetic resonance linewidth rapidly broadens, providing evidence of antiferromagnetic spin fluctuations. This likely indicates that, analogously to manganites, the long-range antiferromagnetic order in GdBaCo2O5.0 sets in at ≈TCO. Pair distribution function analysis of diffraction data revealed signatures of structural inhomogeneities at low temperature. By comparing the average and local bond valences, we found that above TCO the local structure is consistent with a fully random occupation of Co2+ and Co3+ in a 1:1 ratio and with a complete charge ordering below TCO. Below T ≈ 100 K the charge localization is partially melted at the local scale, suggesting a reentrant behavior of charge ordering. This result is supported by the weakening of superstructure reflections and the temperature evolution of electron paramagnetic resonance linewidth that is consistent with paramagnetic reentrant behavior reported in the GdBaCo2O5.5 parent compound.

Current-induced spin-orbit torques in ferromagnetic and antiferromagnetic systems

KAUST Repository

Manchon, Aurelien

2018-01-29

Spin-orbit coupling in inversion-asymmetric magnetic crystals and structures has emerged as a powerful tool to generate complex magnetic textures, interconvert charge and spin under applied current, and control magnetization dynamics. Current-induced spin-orbit torques mediate the transfer of angular momentum from the lattice to the spin system, leading to sustained magnetic oscillations or switching of ferromagnetic as well as antiferromagnetic structures. The manipulation of magnetic order, domain walls and skyrmions by spin-orbit torques provides evidence of the microscopic interactions between charge and spin in a variety of materials and opens novel strategies to design spintronic devices with potentially high impact in data storage, nonvolatile logic, and magnonic applications. This paper reviews recent progress in the field of spin-orbitronics, focusing on theoretical models, material properties, and experimental results obtained on bulk noncentrosymmetric conductors and multilayer heterostructures, including metals, semiconductors, and topological insulator systems. Relevant aspects for improving the understanding and optimizing the efficiency of nonequilibrium spin-orbit phenomena in future nanoscale devices are also discussed.

Current-induced spin-orbit torques in ferromagnetic and antiferromagnetic systems

KAUST Repository

Manchon, Aurelien; Miron, I. M.; Jungwirth, T.; Sinova, J.; Zelezný , J.; Thiaville, A.; Garello, K.; Gambardella, P.

2018-01-01

Spin-orbit coupling in inversion-asymmetric magnetic crystals and structures has emerged as a powerful tool to generate complex magnetic textures, interconvert charge and spin under applied current, and control magnetization dynamics. Current-induced spin-orbit torques mediate the transfer of angular momentum from the lattice to the spin system, leading to sustained magnetic oscillations or switching of ferromagnetic as well as antiferromagnetic structures. The manipulation of magnetic order, domain walls and skyrmions by spin-orbit torques provides evidence of the microscopic interactions between charge and spin in a variety of materials and opens novel strategies to design spintronic devices with potentially high impact in data storage, nonvolatile logic, and magnonic applications. This paper reviews recent progress in the field of spin-orbitronics, focusing on theoretical models, material properties, and experimental results obtained on bulk noncentrosymmetric conductors and multilayer heterostructures, including metals, semiconductors, and topological insulator systems. Relevant aspects for improving the understanding and optimizing the efficiency of nonequilibrium spin-orbit phenomena in future nanoscale devices are also discussed.

Transition from direct to inverted charge transport Marcus regions in molecular junctions via molecular orbital gating

Science.gov (United States)

Yuan, Li; Wang, Lejia; Garrigues, Alvar R.; Jiang, Li; Annadata, Harshini Venkata; Anguera Antonana, Marta; Barco, Enrique; Nijhuis, Christian A.

2018-04-01

Solid-state molecular tunnel junctions are often assumed to operate in the Landauer regime, which describes essentially activationless coherent tunnelling processes. In solution, on the other hand, charge transfer is described by Marcus theory, which accounts for thermally activated processes. In practice, however, thermally activated transport phenomena are frequently observed also in solid-state molecular junctions but remain poorly understood. Here, we show experimentally the transition from the Marcus to the inverted Marcus region in a solid-state molecular tunnel junction by means of intra-molecular orbital gating that can be tuned via the chemical structure of the molecule and applied bias. In the inverted Marcus region, charge transport is incoherent, yet virtually independent of temperature. Our experimental results fit well to a theoretical model that combines Landauer and Marcus theories and may have implications for the interpretation of temperature-dependent charge transport measurements in molecular junctions.

Interface reconstruction with emerging charge ordering in hexagonal manganite

Science.gov (United States)

Xu, Changsong; Han, Myung-Geun; Bao, Shanyong; Nan, Cewen; Bellaiche, Laurent

2018-01-01

Multiferroic materials, which simultaneously have multiple orderings, hold promise for use in the next generation of memory devices. We report a novel self-assembled MnO double layer forming at the interface between a multiferroic YMnO3 film and a c-Al2O3 substrate. The crystal structures and the valence states of this MnO double layer were studied by atomically resolved scanning transmission electron microscopy and spectroscopy, as well as density functional theory (DFT) calculations. A new type of charge ordering has been identified within this MnO layer, which also contributes to a polarization along the [001] direction. DFT calculations further establish the occurrence of multiple couplings between charge and lattice in this novel double layer, in addition to the polarization in nearby YMnO3 single layer. The interface reconstruction reported here creates a new playground for emergent physics, such as giant ferroelectricity and strong magnetoelectric coupling, in manganite systems. PMID:29795782

Charged dust in planetary magnetospheres: Hamiltonian dynamics and numerical simulations for highly charged grains

Science.gov (United States)

Schaffer, L.; Burns, J. A.

1994-01-01

We use a combination of analytical and numerical methods to investigate the dynamics of charged dust grains in planetary magnetospheres. Our emphasis is on obtaining results valid for particles that are not necessarily dominated either by gravitational or electromagnetic forces. A Hamiltonian formulation of the problem yields exact results, for all values of charge-to-mass ratio, when we introduce two constraints: particles remain in the equatorial plane and the magnetic field is taken as axially symmetric. In particular, we obtain locations of equilibrium points, the frequencies of stable periodic orbits, the topology of separatrices in phase space, and the rate of longitudinal drift. These results are significant for specific applications: motion in the nearly aligned dipolar field of Saturn, and the trajectories of arbitrarily charged particles in complex magnetic fields for limited periods of time after ejection from parent bodies. Since the model is restrictive, we also use numerical integrations of the full three-dimensional equations of motion and illustrate under what conditions the constrained problem yields reasonable results. We show that a large fraction of the intermediately charged and highly charged (gyrating) particles will always be lost to a planet's atmosphere within a few hundred hours, for motion through tilted-dipole magnetic fields. We find that grains must have a very high charge-to-mass ratio in order to be mirrored back to the ring plane. Thus, except perhaps at Saturn where the dipole tilt is very small, the likely inhabitants of the dusty ring systems are those particles that are either nearly Keplerian (weakly charged) grains or grains whose charges place them in the lower end of the intermediate charge zone. Fianlly, we demonstrate the effect of plasma drag on the orbits of gyrating particles to be a rapid decrease in gyroradius followed by a slow radial evolution of the guiding center.

Meta-orbital transition in heavy-fermion systems. Analysis by dynamical mean field theory and self-consistent renormalization theory of orbital fluctuations

International Nuclear Information System (INIS)

Hattori, Kazumasa

2010-01-01

We investigate a two-orbital Anderson lattice model with Ising orbital intersite exchange interactions on the basis of a dynamical mean field theory combined with the static mean field approximation of intersite orbital interactions. Focusing on Ce-based heavy-fermion compounds, we examine the orbital crossover between two orbital states, when the total f-electron number per site n f is ∼1. We show that a 'meta-orbital' transition, at which the occupancy of two orbitals changes steeply, occurs when the hybridization between the ground-state f-electron orbital and conduction electrons is smaller than that between the excited f-electron orbital and conduction electrons at low pressures. Near the meta-orbital critical end point, orbital fluctuations are enhanced and couple with charge fluctuations. A critical theory of meta-orbital fluctuations is also developed by applying the self-consistent renormalization theory of itinerant electron magnetism to orbital fluctuations. The critical end point, first-order transition, and crossover are described within Gaussian approximations of orbital fluctuations. We discuss the relevance of our results to CeAl 2 , CeCu 2 Si 2 , CeCu 2 Ge 2 , and related compounds, which all have low-lying crystalline-electric-field excited states. (author)

Phase Fluctuations and the Absence of Topological Defects in Photo-excited Charge Ordered Nickelate

Energy Technology Data Exchange (ETDEWEB)

Lee, W.S.; Chuang, Y.D.; Moore, R.G.; Zhu, Y.; Patthey, L.; Trigo, M.; Lu, D.H.; Kirchmann, P.S.; Krupin, O.; Yi, M.; Langner, M.; Huse, N.; Robinson, J.S.; Chen, Y.; Zhou, S.Y.; Coslovich, G.; Huber, B.; Reis, D.A.; Kaindl, R.A.; Schoenlein, R.W.; Doering, D.

2012-05-15

The dynamics of an order parameter's amplitude and phase determines the collective behaviour of novel states emerging in complex materials. Time- and momentum-resolved pump-probe spectroscopy, by virtue of measuring material properties at atomic and electronic time scales out of equilibrium, can decouple entangled degrees of freedom by visualizing their corresponding dynamics in the time domain. Here we combine time-resolved femotosecond optical and resonant X-ray diffraction measurements on charge ordered La{sub 1.75}Sr{sub 0.25}NiO{sub 4} to reveal unforeseen photoinduced phase fluctuations of the charge order parameter. Such fluctuations preserve long-range order without creating topological defects, distinct from thermal phase fluctuations near the critical temperature in equilibrium. Importantly, relaxation of the phase fluctuations is found to be an order of magnitude slower than that of the order parameter's amplitude fluctuations, and thus limits charge order recovery. This new aspect of phase fluctuations provides a more holistic view of the phase's importance in ordering phenomena of quantum matter.

Fluctuating Charge-Order in Optimally Doped Bi- 2212 Revealed by Momentum-resolved Electron Energy Loss Spectroscopy

Science.gov (United States)

Husain, Ali; Vig, Sean; Kogar, Anshul; Mishra, Vivek; Rak, Melinda; Mitrano, Matteo; Johnson, Peter; Gu, Genda; Fradkin, Eduardo; Norman, Michael; Abbamonte, Peter

Static charge order is a ubiquitous feature of the underdoped cuprates. However, at optimal doping, charge-order has been thought to be completely suppressed, suggesting an interplay between the charge-ordering and superconducting order parameters. Using Momentum-resolved Electron Energy Loss Spectroscopy (M-EELS) we show the existence of diffuse fluctuating charge-order in the optimally doped cuprate Bi2Sr2CaCu2O8+δ (Bi-2212) at low-temperature. We present full momentum-space maps of both elastic and inelastic scattering at room temperature and below the superconducting transition with 4meV resolution. We show that the ``rods'' of diffuse scattering indicate nematic-like fluctuations, and the energy width defines a fluctuation timescale of 160 fs. We discuss the implications of fluctuating charge-order on the dynamics at optimal doping. This work was supported by the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF-4542. An early prototype of the M-EELS instrument was supported by the DOE Center for Emergent Superconductivity under Award No. DE-AC02-98CH10886.

Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors.

Science.gov (United States)

Tan, B S; Harrison, N; Zhu, Z; Balakirev, F; Ramshaw, B J; Srivastava, A; Sabok-Sayr, S A; Sabok, S A; Dabrowski, B; Lonzarich, G G; Sebastian, Suchitra E

2015-08-04

The normal state in the hole underdoped copper oxide superconductors has proven to be a source of mystery for decades. The measurement of a small Fermi surface by quantum oscillations on suppression of superconductivity by high applied magnetic fields, together with complementary spectroscopic measurements in the hole underdoped copper oxide superconductors, point to a nodal electron pocket from charge order in YBa2Cu3(6+δ). Here, we report quantum oscillation measurements in the closely related stoichiometric material YBa2Cu4O8, which reveals similar Fermi surface properties to YBa2Cu3(6+δ), despite the nonobservation of charge order signatures in the same spectroscopic techniques, such as X-ray diffraction, that revealed signatures of charge order in YBa2Cu3(6+δ). Fermi surface reconstruction in YBa2Cu4O8 is suggested to occur from magnetic field enhancement of charge order that is rendered fragile in zero magnetic fields because of its potential unconventional nature and/or its occurrence as a subsidiary to more robust underlying electronic correlations.

Abstracts of the workshop on orbital ordering and fluctuations in d- and f-electron systems

International Nuclear Information System (INIS)

Ueda, Kazuo; Hotta, Takashi

2002-12-01

Strongly correlated f- and d-electron systems including heavy Fermion systems and transition metal oxides are important source of exciting new phenomena in condensed matter physics. Recently it has been recognized in more profound way that the orbital degeneracy of the f- and d-electrons plays very important role underlying those exotic phenomena. The idea of the present workshop is to bring active researchers in the field together and to exchange ideas in informal atmosphere. In the workshop, twenty seven papers were presented and the following subjects were discussed: orbital ordering in transition metal oxides, role of orbital degeneracy in heavy Fermion systems and effect of geometrical frustration on orbital fluctuations. (author)

Orbital ordering in {sup 154}SmNiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Medarde, M.; Rosenkranz, S. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Rodrigeuez-Carvajal, J. [Laboratoire Leon Brillouin (LLB) - Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France); Lacorre, P. [Lab. Fluorures, LeMans (France); Trounov, V. [PNPI, Gatchina (Russian Federation); Fernandez-Diaz, M.T. [Institut Max von Laue - Paul Langevin, 75 - Paris (France)

1997-09-01

We have investigated the existence of a structural distortion associated to the k = (1/2 0 1/2) orbital ordering recently proposed to explain the magnetic structure of RNiO{sub 3} perovskites (R = rare earth). Our results on a {sup 154}SmNiO{sub 3} powder sample indicate that, if existing, the associated superstructure reflections are as a maximum 10{sup 4} times smaller than the largest nuclear reflection. (author) 2 figs., 3 refs.

Gravitational Rutherford scattering and Keplerian orbits for electrically charged bodies in heterotic string theory

International Nuclear Information System (INIS)

Villanueva, J. R.; Olivares, Marco

2015-01-01

Properties of the motion of electrically charged particles in the background of the Gibbons–Maeda–Garfinkle–Horowitz–Strominger black hole is presented in this paper. Radial and angular motions are studied analytically for different values of the fundamental parameter. Therefore, gravitational Rutherford scattering and Keplerian orbits are analyzed in detail. Finally, this paper complements previous work by Fernando for null geodesics (Phys Rev D 85:024033, 2012), Olivares and Villanueva (Eur Phys J C 73:2659, 2013) and Blaga (Automat Comp Appl Math 22:41–48, 2013; Serb Astron 190:41, 2015) for time-like geodesics

Gravitational Rutherford scattering and Keplerian orbits for electrically charged bodies in heterotic string theory

Energy Technology Data Exchange (ETDEWEB)

Villanueva, J.R. [Universidad de Valparaiso, Instituto de Fisica y Astronomia, Valparaiso (Chile); Centro de Astrofisica de Valparaiso, Valparaiso (Chile); Olivares, Marco [Universidad Diego Portales, Avenida Ejercito Libertador 441, Facultad de Ingenieria, Santiago (Chile)

2015-11-15

Properties of the motion of electrically charged particles in the background of the Gibbons-Maeda-Garfinkle-Horowitz-Strominger black hole is presented in this paper. Radial and angular motions are studied analytically for different values of the fundamental parameter. Therefore, gravitational Rutherford scattering and Keplerian orbits are analyzed in detail. Finally, this paper complements previous work by Fernando for null geodesics (Phys Rev D 85:024033, 2012), Olivares and Villanueva (Eur Phys J C 73:2659, 2013) and Blaga (Automat Comp Appl Math 22:41-48, 2013; Serb Astron 190:41, 2015) for time-like geodesics. (orig.)

Charge ordering in Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3}: ESR and magnetometry study

Energy Technology Data Exchange (ETDEWEB)

Polishchuk, D.M.; Tovstolytkin, A.I. [Institute of Magnetism of NASU, 36b Vernadsky Boulevard, Kyiv 03680 (Ukraine); Fertman, E.L.; Desnenko, V.A.; Kravchyna, O. [B. Verkin Institute for Low Temperature Physics and Engineering of NASU, 47 Lenin Ave., Kharkov 61103 (Ukraine); Khalyavin, D.D. [ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Salak, A.N. [Department of Materials and Ceramic Engineering/CICECO, University of Aveiro, Aveiro 3810-193 (Portugal); Anders, A.G. [V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61000 (Ukraine); Feher, A. [Institute of Physics, Faculty of Science, P. J. Šafárik University in Košice, Park Angelinum 9, Košice 04154 (Slovakia)

2016-07-15

The evolution of magnetic and electric properties of the narrow-band manganite Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} was studied by the electron-spin resonance (ESR), static magnetic field (dc) and resistivity techniques in the temperature range of 100–380 K. It was found that below the charge ordering temperature, T{sub CO}≈212 K, the compound is a mixture of the charge ordered and charge disordered phases in varying proportions depending on the temperature. The exchange phase process, when the amount of the charge ordered phase increases under cooling, while the amount of the charge disordered phase decreases is the most intense between ∼220 K and 180 K. At low temperatures, T<160 K, the charge ordered to the charge disordered phase ratio is about 4:1, which is in excellent agreement with previous neutron diffraction data. Both a sharp decrease of the magnetic susceptibility and a huge resistivity increase are evident of the weakening of ferromagnetic correlations and suppression of the double exchange interaction across the charge ordering due to the localization of the charge carriers. - Highlights: • The electron spin resonance and magnetometry study of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} compound has been done. • Phase segregated state of the compound below the charge ordering temperature was revealed. • Charge ordered and charge disordered phases in varying proportions depending on the temperature are coexistent. • The exchange phase process is the most intense between ~220 K and 180 K. • At low temperatures the charge ordered to the charge disordered phase ratio is about 4:1.

Charge ordering phenomena and superconductivity in underdoped cuprates

Energy Technology Data Exchange (ETDEWEB)

Tassini, Leonardo [Bayerische Akademie der Wissenschaften, Muenchen (Germany). Lehrstuhl E23 fuer Technische Physik

2008-01-16

In this thesis electronic properties of two prototypical copper-oxygen superconductors were studied with Raman scattering. The underdoped regime including the onset point of superconductivity p{sub sc1} was investigated. Evidence of quasi one-dimensional (1D) dynamical stripes was found. The 1D structures have a universal preferential orientation along the diagonals of the CuO{sub 2} planes below p{sub sc1}. At p{sub sc1}, lattice and electron dynamics change discontinuously. The results show that charge ordering drives the transition at p{sub sc1} and that the maximal transition temperature to superconductivity at optimal doping T{sub c}{sup MAX} depends on the type of ordering at p{sub sc1}. (orig.)

Neutron scattering studies on magnetic excitations in complex ordered manganites

International Nuclear Information System (INIS)

Senff, D.

2007-09-01

This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO 4 , charge- and orbital-ordered La 1/2 Sr 3/2 MnO 4 , and multiferroic TbMnO 3 , which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO 4 , are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO 4 suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La 1/2 Sr 3/2 MnO 4 exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO 3 the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations allows to identify all relevant modes of the

Two-dimensional orbital ordering in d{sup 1} Mott insulator Sr{sub 2}VO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Viennois, R; Giannini, E; Teyssier, J; Elia, J; Van der Marel, D [DPMC, Universite de Geneve, 24 quai Ernest Ansermet, CH-1211 Geneve (Switzerland); Deisenhofer, J, E-mail: Romain.Viennois@unige.c [Institute of Physics, University of Augsburg, Augsburg (Germany)

2010-01-15

The Mott insulator Sr{sub 2}VO{sub 4} is a unique d{sup 1} two-dimensional compound exhibiting an orbital ordering transition. In addition to the orbital ordering transition at about 100 K, we discovered a ferromagnetic transition below 10 K, thus confirming the predictions of recent band structure calculations. The magnetic properties proved to be strongly sensitive to the material purity, the actual oxygen stoichiometry and the crystallographic parameters. An additional transition is observed at 125 K, which is believed to be due to structural modifications.

On the spacecraft attitude stabilization in the orbital frame

Directory of Open Access Journals (Sweden)

Antipov Kirill A.

2012-01-01

Full Text Available The paper deals with spacecraft in the circular near-Earth orbit. The spacecraft interacts with geomagnetic field by the moments of Lorentz and magnetic forces. The octupole approximation of the Earth’s magnetic field is accepted. The spacecraft electromagnetic parameters, namely the electrostatic charge moment of the first order and the eigen magnetic moment are the controlled quasiperiodic functions. The control algorithms for the spacecraft electromagnetic parameters, which allows to stabilize the spacecraft attitude position in the orbital frame are obtained. The stability of the spacecraft stabilized orientation is proved both analytically and by PC computations.

Status of Charge Exchange Cross Section Measurements for Highly Charged Ions on Atomic Hydrogen

Science.gov (United States)

Draganic, I. N.; Havener, C. C.; Schultz, D. R.; Seely, D. G.; Schultz, P. C.

2011-05-01

Total cross sections of charge exchange (CX) for C5+, N6+, and O7+ ions on ground state atomic hydrogen are measured in an extended collision energy range of 1 - 20,000 eV/u. Absolute CX measurements are performed using an improved merged-beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source mounted on a high voltage platform. In order to improve the problematic H+ signal collection for these exoergic CX collisions at low relative energies, a new double focusing electrostatic analyzer was installed. Experimental CX data are in good agreement with all previous H-oven relative measurements at higher collision energies. We compare our results with the most recent molecular orbital close-coupling (MOCC) and atomic orbital close-coupling (AOCC) theoretical calculations. Work supported by the NASA Solar & Heliospheric Physics Program NNH07ZDA001N, the Office of Fusion Energy Sciences and the Division of Chemical Sciences, Geosciences, and Biosciences, and the Office of Basic Energy Sciences of the U.S. DoE.

Probing nuclear correlations with pion-nucleus double charge exchange

International Nuclear Information System (INIS)

Ginocchio, J.N.

1988-01-01

In this paper we have calculated the lowest order pion double charge reaction mechanism using shell model wavefunctions of medium weight nuclei. We have the sequential reaction mechanism in which the pion undergoes two single-charge exchange scatterings on the valence neutrons. The distortion of the incoming, intermediate, and outgoing pion are included. The closure approximation is made for the intermediate states with an average excitation energy used in the pion propagator. The double-charge exchange is assumed to take place on the valence nucleons which are assumed to be in one spherical shell model orbital. 34 refs., 5 figs., 3 tabs

On the relation between Jahn-Teller ordering and charge ordering

International Nuclear Information System (INIS)

Eijndhoven, J.C.M van.

1978-01-01

This thesis compares the structures of KCusup(II)F 3 and Cs 2 Ausup(I)Ausup(III)Cl 6 . Both compounds have a structure that can be thought to result from a deformation of the cubic perovskite structure. The deformation of KCusup(II)F 3 is a result of a cooperative Jahn-Teller effect and the deformation of Cs 2 Ausup(I)Ausup(III)Cl 6 results in two sublattices. The structures of both compounds result from a continuous phase transition from the cubic pervskite structure due to a deformation of symmetry. Using local coordinates and a calculation of the electron-lattice interaction in a static approximation, four structure types were derived. One is the structure of Cs 2 AuAuCl 6 at ambient temperature and pressure and the second contains a group of structures corresponding to the structures found for KCuF 3 . The third structure type was recently suggested for Cs 2 AuAuCl 6 under pressure and the fourth has not been found experimentally. Two types show a Jahn-Teller ordering and the other two charge ordering (Auth./C.F.)

Fermi level alignment in molecular nanojunctions and its relation to charge transfer

DEFF Research Database (Denmark)

Stadler, Robert; Jacobsen, Karsten Wedel

2006-01-01

The alignment of the Fermi level of a metal electrode within the gap of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of a molecule is a key quantity in molecular electronics, which can vary the electron transparency of a single-molecule junction...... by orders of magnitude. We present a quantitative analysis of the relation between this level alignment (which can be estimated from charging free molecules) and charge transfer for bipyridine and biphenyl dithiolate (BPDT) molecules attached to gold leads based on density functional theory calculations...... end of the gap in the transmission function for bipyridine and at its lower end for BPDT....

Phase fluctuations and the absence of topological defects in a photo-excited charge-ordered nickelate

Energy Technology Data Exchange (ETDEWEB)

Lee, W. S.; Chuang, Y. D.; Moore, R. G.; Zhu, Y.; Patthey, L.; Trigo, M.; Lu, D. H.; Kirchmann, P. S.; Krupin, O.; Yi, M.; Langner, M.; Huse, N.; Robinson, J. S.; Chen, Y.; Zhou, S. Y.; Coslovich, G.; Huber, B.; Reis, D. A.; Kaindl, R. A.; Schoenlein, R. W.; Doering, D.; Denes, P.; Schlotter, W. F.; Turner, J. J.; Johnson, S. L.; Först, M.; Sasagawa, T.; Kung, Y. F.; Sorini, A. P.; Kemper, A. F.; Moritz, B.; Devereaux, T. P.; Lee, D. -H.; Shen, Z. X.; Hussain, Z.

2012-05-15

The dynamics of an order parameter's amplitude and phase determines the collective behaviour of novel states emerging in complex materials. Time- and momentum-resolved pump-probe spectroscopy, by virtue of measuring material properties at atomic and electronic time scales out of equilibrium, can decouple entangled degrees of freedom by visualizing their corresponding dynamics in the time domain. Here we combine time-resolved femotosecond optical and resonant X-ray diffraction measurements on charge ordered La1.75Sr0.25NiO4 to reveal unforeseen photoinduced phase fluctuations of the charge order parameter. Such fluctuations preserve long-range order without creating topological defects, distinct from thermal phase fluctuations near the critical temperature in equilibrium. Importantly, relaxation of the phase fluctuations is found to be an order of magnitude slower than that of the order parameter's amplitude fluctuations, and thus limits charge order recovery. This new aspect of phase fluctuations provides a more holistic view of the phase's importance in ordering phenomena of quantum matter.

Non-isochronous spiral orbit particle accelerator and fixed frequency closed orbit particle accelerator

International Nuclear Information System (INIS)

Fujisawa, Takashi; Hattori, Toshiyuki

2006-01-01

One of the present inventions provides a spiral orbit charged particle accelerator in which the magnetic field increases as the radius increases more rapidly than an isochronous magnetic field distribution, and the distribution of fixed-frequency accelerating RF voltage is formed so that a harmonic number changes in integer for every particle revolution. The other invention realizes to make the closed orbit charged particle accelerator having a fixed frequency amplitude modulator that is able to modulate amplitude of the RF voltage so that a harmonic number decreases in integer in an every particle revolution. (author)

Summary of ACCSIM and ORBIT Benchmarking Simulations

CERN Document Server

AIBA, M

2009-01-01

We have performed a benchmarking study of ORBIT and ACCSIM which are accelerator tracking codes having routines to evaluate space charge effects. The study is motivated by the need of predicting/understanding beam behaviour in the CERN Proton Synchrotron Booster (PSB) in which direct space charge is expected to be the dominant performance limitation. Historically at CERN, ACCSIM has been employed for space charge simulation studies. A benchmark study using ORBIT has been started to confirm the results from ACCSIM and to profit from the advantages of ORBIT such as the capability of parallel processing. We observed a fair agreement in emittance evolution in the horizontal plane but not in the vertical one. This may be partly due to the fact that the algorithm to compute the space charge field is different between the two codes.

Molecular orbital (SCF-X-α-SW) theory of Fe2+-Mn3+, Fe3+-Mn2+, and Fe3+-Mn3+ charge transfer and magnetic exchange in oxides and silicates

Science.gov (United States)

Sherman, David M.

1990-01-01

Metal-metal charge-transfer and magnetic exchange interactions have important effects on the optical spectra, crystal chemistry, and physics of minerals. Previous molecular orbital calculations have provided insight on the nature of Fe2+-Fe3+ and Fe2+-Ti4+ charge-transfer transitions in oxides and silicates. In this work, spin-unrestricted molecular orbital calculations on (FeMnO10) clusters are used to study the nature of magnetic exchange and electron delocalization (charge transfer) associated with Fe3+-Mn2+, Fe3+-Mn3+, and Fe2+-Mn3+ interactions in oxides and silicates. 

Superconductivity and spin excitations in orbitally ordered FeSe

Energy Technology Data Exchange (ETDEWEB)

Kreisel, Andreas; Andersen, Brian M. [Niels Bohr Institute, University of Copenhagen (Denmark); Mukherjee, Shantanu [Niels Bohr Institute, University of Copenhagen (Denmark); Dept. of Physics, State University of New York at Binghamton, Binghamton, NY (United States); Hirschfeld, Peter J. [University of Florida, Gainesville, FL (United States)

2016-07-01

We provide a band-structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on the Fe-based superconductor FeSe, including a mean-field like orbital ordering in the d{sub xz}/d{sub yz} channel, and show that this model also accounts for the temperature dependence of the measured Knight shift and the spin-relaxation rate. An RPA calculation of the dynamical spin susceptibility yields spin excitations which are peaked at wave vector (π,0) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the 'V'-shaped density of states measured by tunneling spectroscopy on this material. The redistribution of spectral weight in the superconducting state creates a (π,0) ''neutron resonance'' as seen in recent experiments. Comparing to various experimental results, we give predictions for further studies.

Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

Science.gov (United States)

Borah, Mukunda Madhab; Devi, Th. Gomti

2018-06-01

The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

Test results and in-orbit operation of the Infrared Astronomical Satellite circumvention circuit

Science.gov (United States)

Long, E. C.; Langford, D.

1984-01-01

The IRAS circumvention circuit (CC) eliminates the unwanted charged-particle pulses from the IR signal. The operation of the CC along with preflight and in-orbit testing is described. Ground testing of the brassboard circuit using a simulated preamplifier output showed that the CC would perform the circumvention function as designed. When all flight detectors and preamplifiers became available, the CC was tested using a gamma source to simulate charged-particle sources; with the low energy deposited in the detectors (20 keV average) the noise was reduced by up to 5 times with the CC turned on. In-orbit results show that the CC decreases the unwanted charged-particle background noise by up to two orders of magnitude. The difference in the results with the CC on and off is so great that the science team has recommended that no data be taken with the CC off.

Reactivity of etoricoxib based on computational study of molecular orbitals, molecular electrostatic potential surface and Mulliken charge analysis

Science.gov (United States)

Sachdeva, Ritika; Soni, Abhinav; Singh, V. P.; Saini, G. S. S.

2018-05-01

Etoricoxib is one of the selective cyclooxygenase inhibitor drug which plays a significant role in the pharmacological management of arthritis and pain. The theoretical investigation of its reactivity is done using Density Functional Theory calculations. Molecular Electrostatic Potential Surface of etoricoxib and its Mulliken atomic charge distribution are used for the prediction of its electrophilic and nucleophilic sites. The detailed analysis of its frontier molecular orbitals is also done.

Structure and orbital ordering of ultrathin LaVO{sub 3} probed by atomic resolution electron microscopy and Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Lindfors-Vrejoiu, Ionela; Engelmayer, Johannes; Loosdrecht, Paul H.M. van [II. Physikalisches Institut, Koeln Univ. (Germany); Jin, Lei; Jia, Chun-Lin [Peter Gruenberg Institut (PGI-5) and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH (Germany); Himcinschi, Cameliu [Institut fuer Theoretische Physik, TU Bergakademie Freiberg (Germany); Hensling, Felix; Waser, Rainer; Dittmann, Regina [Peter Gruenberg Institut (PGI-7), Forschungszentrum Juelich GmbH (Germany)

2017-03-15

Orbital ordering has been less investigated in epitaxial thin films, due to the difficulty to evidence directly the occurrence of this phenomenon in thin film samples. Atomic resolution electron microscopy enabled us to observe the structural details of the ultrathin LaVO{sub 3} films. The transition to orbital ordering of epitaxial layers as thin as ∼4 nm was probed by temperature-dependent Raman scattering spectroscopy of multilayer samples. From the occurrence and temperature dependence of the 700 cm{sup -1} Raman active mode it can be inferred that the structural phase transition associated with orbital ordering takes place in ultrathin LaVO{sub 3} films at about 130 K. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Positron study of negative charge states in order-disorder ferroelectrics

Energy Technology Data Exchange (ETDEWEB)

Troev, T.; Berovsky, K.; Peneva, S. [Bulgarian Academy of Sciences, Sofia (Bulgaria). Inst. for Nuclear Research and Nuclear Energy

2001-07-01

The positive positron charge opens the possibility for determining the changes in charge states in technologically important order-disorder ferroelectrics. Here we show that dipole polarization disordering within domains affects the positron annihilation mechanism. The positron lifetime parameters in triglycine sulphate (TGS) (NH{sub 3}CH{sub 2}COOH){sub 3}H{sub 2}SO{sub 4}, Rochelle salt (RS) NaKC{sub 4}H{sub 4}O{sub 6}.4H{sub 2}O and Potassium dihydrogen phosphate (KDP) KH{sub 2}PO{sub 4}, at different temperatures and gamma-irradiation doses depend on the charge point defects. The increase of the positron long lifetime component {tau}{sub 2} is proportional to the temperature and gamma-irradiation dose. In gamma irradiated TGS positrons are trapped in defect electron states of oxigen ions of two radicals CH{sub 2}COO{sup -} and NH{sub 3}CHCOO{sup -}. In RS positrons are trapped also in defect electron states of oxygen ions and OH groups. (orig.)

Higher-order geodesic deviation for charged particles and resonance induced by gravitational waves

Science.gov (United States)

Heydari-Fard, M.; Hasani, S. N.

We generalize the higher-order geodesic deviation for the structure-less test particles to the higher-order geodesic deviation equations of the charged particles [R. Kerner, J. W. van Holten and R. Colistete Jr., Class. Quantum Grav. 18 (2001) 4725]. By solving these equations for charged particles moving in a constant magnetic field in the spacetime of a gravitational wave, we show for both cases when the gravitational wave is parallel and perpendicular to the constant magnetic field, a magnetic resonance appears at wg = Ω. This feature might be useful to detect the gravitational wave with high frequencies.

Direct measurement of discrete valley and orbital quantum numbers in bilayer graphene.

Science.gov (United States)

Hunt, B M; Li, J I A; Zibrov, A A; Wang, L; Taniguchi, T; Watanabe, K; Hone, J; Dean, C R; Zaletel, M; Ashoori, R C; Young, A F

2017-10-16

The high magnetic field electronic structure of bilayer graphene is enhanced by the spin, valley isospin, and an accidental orbital degeneracy, leading to a complex phase diagram of broken symmetry states. Here, we present a technique for measuring the layer-resolved charge density, from which we directly determine the valley and orbital polarization within the zero energy Landau level. Layer polarization evolves in discrete steps across 32 electric field-tuned phase transitions between states of different valley, spin, and orbital order, including previously unobserved orbitally polarized states stabilized by skew interlayer hopping. We fit our data to a model that captures both single-particle and interaction-induced anisotropies, providing a complete picture of this correlated electron system. The resulting roadmap to symmetry breaking paves the way for deterministic engineering of fractional quantum Hall states, while our layer-resolved technique is readily extendable to other two-dimensional materials where layer polarization maps to the valley or spin quantum numbers.The phase diagram of bilayer graphene at high magnetic fields has been an outstanding question, with orders possibly between multiple internal quantum degrees of freedom. Here, Hunt et al. report the measurement of the valley and orbital order, allowing them to directly reconstruct the phase diagram.

Neutron scattering studies on magnetic excitations in complex ordered manganites

Energy Technology Data Exchange (ETDEWEB)

Senff, D

2007-09-15

This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO{sub 4}, charge- and orbital-ordered La{sub 1/2}Sr{sub 3/2}MnO{sub 4}, and multiferroic TbMnO{sub 3}, which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO{sub 4}, are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO{sub 4} suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La{sub 1/2}Sr{sub 3/2}MnO{sub 4} exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO{sub 3} the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations

Dynamical evolution of space debris on high-elliptical orbits near high-order resonance zones

Science.gov (United States)

Kuznetsov, Eduard; Zakharova, Polina

Orbital evolution of objects on Molniya-type orbits is considered near high-order resonance zones. Initial conditions correspond to high-elliptical orbits with the critical inclination 63.4 degrees. High-order resonances are analyzed. Resonance orders are more than 5 and less than 50. Frequencies of perturbations caused by the effect of sectorial and tesseral harmonics of the Earth's gravitational potential are linear combinations of the mean motion of a satellite, angular velocities of motion of the pericenter and node of its orbit, and the angular velocity of the Earth. Frequencies of perturbations were calculated by taking into account secular perturbations from the Earth oblateness, the Moon, the Sun, and a solar radiation pressure. Resonance splitting effect leads to three sub-resonances. The study of dynamical evolution on long time intervals was performed on the basis of the results of numerical simulation. We used "A Numerical Model of the Motion of Artificial Earth's Satellites", developed by the Research Institute of Applied Mathematics and Mechanics of the Tomsk State University. The model of disturbing forces taken into account the main perturbing factors: the gravitational field of the Earth, the attraction of the Moon and the Sun, the tides in the Earth’s body, the solar radiation pressure, taking into account the shadow of the Earth, the Poynting-Robertson effect, and the atmospheric drag. Area-to-mass ratio varied from small values corresponding to satellites to big ones corresponding to space debris. The locations and sizes of resonance zones were refined from numerical simulation. The Poynting-Robertson effect results in a secular decrease in the semi-major axis of a spherically symmetrical satellite. In resonance regions the effect weakens slightly. Reliable estimates of secular perturbations of the semi-major axis were obtained from the numerical simulation. Under the Poynting-Robertson effect objects pass through the regions of high-order

ORBXYZ: a 3D single-particle orbit code for following charged-particle trajectories in equilibrium magnetic fields

International Nuclear Information System (INIS)

Anderson, D.V.; Cohen, R.H.; Ferguson, J.R.; Johnston, B.M.; Sharp, C.B.; Willmann, P.A.

1981-01-01

The single particle orbit code, TIBRO, has been modified extensively to improve the interpolation methods used and to allow use of vector potential fields in the simulation of charged particle orbits on a 3D domain. A 3D cubic B-spline algorithm is used to generate spline coefficients used in the interpolation. Smooth and accurate field representations are obtained. When vector potential fields are used, the 3D cubic spline interpolation formula analytically generates the magnetic field used to push the particles. This field has del.BETA = 0 to computer roundoff. When magnetic induction is used the interpolation allows del.BETA does not equal 0, which can lead to significant nonphysical results. Presently the code assumes quadrupole symmetry, but this is not an essential feature of the code and could be easily removed for other applications. Many details pertaining to this code are given on microfiche accompanying this report

Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr_{2}IrO_{4}

Directory of Open Access Journals (Sweden)

Sen Zhou

2017-10-01

Full Text Available Analogs of the high-T_{c} cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5d perovskite iridates Sr_{2}IrO_{4} exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d-wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating J_{eff}=1/2 spin current can be probed by advanced techniques of spin-current detection in spintronics. This electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5d orbitals, turning the metallic state into an electron-doped quasi-2D Dirac semimetal with important implications on the possible superconducting state suggested by recent experiments.

Measurement of the azimuthal ordering of charged hadrons with the ATLAS detector

CERN Document Server

Aad, Georges; Abdallah, Jalal; Abdelalim, Ahmed Ali; Abdesselam, Abdelouahab; Abdinov, Ovsat; Abi, Babak; Abolins, Maris; AbouZeid, Ossama; Abramowicz, Halina; Abreu, Henso; Acerbi, Emilio; Acharya, Bobby Samir; Adamczyk, Leszek; Adams, David; Addy, Tetteh; Adelman, Jahred; Aderholz, Michael; Adomeit, Stefanie; Adragna, Paolo; Adye, Tim; Aefsky, Scott; Aguilar-Saavedra, Juan Antonio; Aharrouche, Mohamed; Ahlen, Steven; Ahles, Florian; Ahmad, Ashfaq; Ahsan, Mahsana; Aielli, Giulio; Akdogan, Taylan; Åkesson, Torsten Paul Ake; Akimoto, Ginga; Akimov, Andrei; Akiyama, Kunihiro; Alam, Mohammad; Alam, Muhammad Aftab; Albert, Justin; Albrand, Solveig; Aleksa, Martin; Aleksandrov, Igor; Alessandria, Franco; Alexa, Calin; Alexander, Gideon; Alexandre, Gauthier; Alexopoulos, Theodoros; Alhroob, Muhammad; Aliev, Malik; Alimonti, Gianluca; Alison, John; Aliyev, Magsud; Allport, Phillip; Allwood-Spiers, Sarah; Almond, John; Aloisio, Alberto; Alon, Raz; Alonso, Alejandro; Alvarez Gonzalez, Barbara; Alviggi, Mariagrazia; Amako, Katsuya; Amaral, Pedro; Amelung, Christoph; Ammosov, Vladimir; Amorim, Antonio; Amorós, Gabriel; Amram, Nir; Anastopoulos, Christos; Ancu, Lucian Stefan; Andari, Nansi; Andeen, Timothy; Anders, Christoph Falk; Anders, Gabriel; Anderson, Kelby; Andreazza, Attilio; Andrei, George Victor; Andrieux, Marie-Laure; Anduaga, Xabier; Angerami, Aaron; Anghinolfi, Francis; Anisenkov, Alexey; Anjos, Nuno; Annovi, Alberto; Antonaki, Ariadni; Antonelli, Mario; Antonov, Alexey; Antos, Jaroslav; Anulli, Fabio; Aoun, Sahar; Aperio Bella, Ludovica; Apolle, Rudi; Arabidze, Giorgi; Aracena, Ignacio; Arai, Yasuo; Arce, Ayana; Archambault, John-Paul; Arfaoui, Samir; Arguin, Jean-Francois; Arik, Engin; Arik, Metin; Armbruster, Aaron James; Arnaez, Olivier; Arnault, Christian; Artamonov, Andrei; Artoni, Giacomo; Arutinov, David; Asai, Shoji; Asfandiyarov, Ruslan; Ask, Stefan; Åsman, Barbro; Asquith, Lily; Assamagan, Ketevi; Astbury, Alan; Astvatsatourov, Anatoli; Aubert, Bernard; Auge, Etienne; Augsten, Kamil; Aurousseau, Mathieu; Avolio, Giuseppe; Avramidou, Rachel Maria; Axen, David; Ay, Cano; Azuelos, Georges; Azuma, Yuya; Baak, Max; Baccaglioni, Giuseppe; Bacci, Cesare; Bach, Andre; Bachacou, Henri; Bachas, Konstantinos; Bachy, Gerard; Backes, Moritz; Backhaus, Malte; Badescu, Elisabeta; Bagnaia, Paolo; Bahinipati, Seema; Bai, Yu; Bailey, David; Bain, Travis; Baines, John; Baker, Oliver Keith; Baker, Mark; Baker, Sarah; Banas, Elzbieta; Banerjee, Piyali; Banerjee, Swagato; Banfi, Danilo; Bangert, Andrea Michelle; Bansal, Vikas; Bansil, Hardeep Singh; Barak, Liron; Baranov, Sergei; Barashkou, Andrei; Barbaro Galtieri, Angela; Barber, Tom; Barberio, Elisabetta Luigia; Barberis, Dario; Barbero, Marlon; Bardin, Dmitri; Barillari, Teresa; Barisonzi, Marcello; Barklow, Timothy; Barlow, Nick; Barnett, Bruce; Barnett, Michael; Baroncelli, Antonio; Barone, Gaetano; Barr, Alan; Barreiro, Fernando; Barreiro Guimarães da Costa, João; Barrillon, Pierre; Bartoldus, Rainer; Barton, Adam Edward; Bartsch, Valeria; Bates, Richard; Batkova, Lucia; Batley, Richard; Battaglia, Andreas; Battistin, Michele; Bauer, Florian; Bawa, Harinder Singh; Beale, Steven; Beare, Brian; Beau, Tristan; Beauchemin, Pierre-Hugues; Beccherle, Roberto; Bechtle, Philip; Beck, Hans Peter; Becker, Sebastian; Beckingham, Matthew; Becks, Karl-Heinz; Beddall, Andrew; Beddall, Ayda; Bedikian, Sourpouhi; Bednyakov, Vadim; Bee, Christopher; Begel, Michael; Behar Harpaz, Silvia; Behera, Prafulla; Beimforde, Michael; Belanger-Champagne, Camille; Bell, Paul; Bell, William; Bella, Gideon; Bellagamba, Lorenzo; Bellina, Francesco; Bellomo, Massimiliano; Belloni, Alberto; Beloborodova, Olga; Belotskiy, Konstantin; Beltramello, Olga; Ben Ami, Sagi; Benary, Odette; Benchekroun, Driss; Benchouk, Chafik; Bendel, Markus; Benekos, Nektarios; Benhammou, Yan; Benhar Noccioli, Eleonora; Benitez Garcia, Jorge-Armando; Benjamin, Douglas; Benoit, Mathieu; Bensinger, James; Benslama, Kamal; Bentvelsen, Stan; Berge, David; Bergeaas Kuutmann, Elin; Berger, Nicolas; Berghaus, Frank; Berglund, Elina; Beringer, Jürg; Bernat, Pauline; Bernhard, Ralf; Bernius, Catrin; Berry, Tracey; Bertella, Claudia; Bertin, Antonio; Bertinelli, Francesco; Bertolucci, Federico; Besana, Maria Ilaria; Besson, Nathalie; Bethke, Siegfried; Bhimji, Wahid; Bianchi, Riccardo-Maria; Bianco, Michele; Biebel, Otmar; Bieniek, Stephen Paul; Bierwagen, Katharina; Biesiada, Jed; Biglietti, Michela; Bilokon, Halina; Bindi, Marcello; Binet, Sebastien; Bingul, Ahmet; Bini, Cesare; Biscarat, Catherine; Bitenc, Urban; Black, Kevin; Blair, Robert; Blanchard, Jean-Baptiste; Blanchot, Georges; Blazek, Tomas; Blocker, Craig; Blocki, Jacek; Blondel, Alain; Blum, Walter; Blumenschein, Ulrike; Bobbink, Gerjan; Bobrovnikov, Victor; Bocchetta, Simona Serena; Bocci, Andrea; Boddy, Christopher Richard; Boehler, Michael; Boek, Jennifer; Boelaert, Nele; Böser, Sebastian; Bogaerts, Joannes Andreas; Bogdanchikov, Alexander; Bogouch, Andrei; Bohm, Christian; Boisvert, Veronique; Bold, Tomasz; Boldea, Venera; Bolnet, Nayanka Myriam; Bona, Marcella; Bondarenko, Valery; Bondioli, Mario; Boonekamp, Maarten; Boorman, Gary; Booth, Chris; Bordoni, Stefania; Borer, Claudia; Borisov, Anatoly; Borissov, Guennadi; Borjanovic, Iris; Borroni, Sara; Bos, Kors; Boscherini, Davide; Bosman, Martine; Boterenbrood, Hendrik; Botterill, David; Bouchami, Jihene; Boudreau, Joseph; Bouhova-Thacker, Evelina Vassileva; Boumediene, Djamel Eddine; Bourdarios, Claire; Bousson, Nicolas; Boveia, Antonio; Boyd, James; Boyko, Igor; Bozhko, Nikolay; Bozovic-Jelisavcic, Ivanka; Bracinik, Juraj; Braem, André; Branchini, Paolo; Brandenburg, George; Brandt, Andrew; Brandt, Gerhard; Brandt, Oleg; Bratzler, Uwe; Brau, Benjamin; Brau, James; Braun, Helmut; Brelier, Bertrand; Bremer, Johan; Brenner, Richard; Bressler, Shikma; Breton, Dominique; Britton, Dave; Brochu, Frederic; Brock, Ian; Brock, Raymond; Brodbeck, Timothy; Brodet, Eyal; Broggi, Francesco; Bromberg, Carl; Bronner, Johanna; Brooijmans, Gustaaf; 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Canelli, Florencia; Canepa, Anadi; Cantero, Josu; Capasso, Luciano; Capeans Garrido, Maria Del Mar; Caprini, Irinel; Caprini, Mihai; Capriotti, Daniele; Capua, Marcella; Caputo, Regina; Caramarcu, Costin; Cardarelli, Roberto; Carli, Tancredi; Carlino, Gianpaolo; Carminati, Leonardo; Caron, Bryan; Caron, Sascha; Carrillo Montoya, German D; Carter, Antony; Carter, Janet; Carvalho, João; Casadei, Diego; Casado, Maria Pilar; Cascella, Michele; Caso, Carlo; Castaneda Hernandez, Alfredo Martin; Castaneda-Miranda, Elizabeth; Castillo Gimenez, Victoria; Castro, Nuno Filipe; Cataldi, Gabriella; Cataneo, Fernando; Catinaccio, Andrea; Catmore, James; Cattai, Ariella; Cattani, Giordano; Caughron, Seth; Cauz, Diego; Cavalleri, Pietro; Cavalli, Donatella; Cavalli-Sforza, Matteo; Cavasinni, Vincenzo; Ceradini, Filippo; Santiago Cerqueira, Augusto; Cerri, Alessandro; Cerrito, Lucio; Cerutti, Fabio; Cetin, Serkant Ali; Cevenini, Francesco; Chafaq, Aziz; Chakraborty, Dhiman; Chan, Kevin; Chapleau, Bertrand; Chapman, John Derek; Chapman, John Wehrley; Chareyre, Eve; Charlton, Dave; Chavda, Vikash; Chavez Barajas, Carlos Alberto; Cheatham, Susan; Chekanov, Sergei; Chekulaev, Sergey; Chelkov, Gueorgui; Chelstowska, Magda Anna; Chen, Chunhui; Chen, Hucheng; Chen, Shenjian; Chen, Tingyang; Chen, Xin; Cheng, Shaochen; Cheplakov, Alexander; Chepurnov, Vladimir; Cherkaoui El Moursli, Rajaa; Chernyatin, Valeriy; Cheu, Elliott; Cheung, Sing-Leung; Chevalier, Laurent; Chiefari, Giovanni; Chikovani, Leila; Childers, John Taylor; Chilingarov, Alexandre; Chiodini, Gabriele; Chizhov, Mihail; Choudalakis, Georgios; Chouridou, Sofia; Christidi, Illectra-Athanasia; Christov, Asen; Chromek-Burckhart, Doris; Chu, Ming-Lee; Chudoba, Jiri; Ciapetti, Guido; Ciba, Krzysztof; Ciftci, Abbas Kenan; Ciftci, Rena; Cinca, Diane; Cindro, Vladimir; Ciobotaru, Matei Dan; Ciocca, Claudia; Ciocio, Alessandra; Cirilli, Manuela; Citterio, Mauro; Ciubancan, Mihai; Clark, Allan G; Clark, Philip James; Cleland, Bill; Clemens, Jean-Claude; 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Curatolo, Maria; Curtis, Chris; Cuthbert, Cameron; Cwetanski, Peter; Czirr, Hendrik; Czodrowski, Patrick; Czyczula, Zofia; D'Auria, Saverio; D'Onofrio, Monica; D'Orazio, Alessia; Da Silva, Paulo Vitor; Da Via, Cinzia; Dabrowski, Wladyslaw; Dai, Tiesheng; Dallapiccola, Carlo; Dam, Mogens; Dameri, Mauro; Damiani, Daniel; Danielsson, Hans Olof; Dannheim, Dominik; Dao, Valerio; Darbo, Giovanni; Darlea, Georgiana Lavinia; Daum, Cornelis; Davey, Will; Davidek, Tomas; Davidson, Nadia; Davidson, Ruth; Davies, Eleanor; Davies, Merlin; Davison, Adam; Davygora, Yuriy; Dawe, Edmund; Dawson, Ian; Dawson, John; Daya-Ishmukhametova, Rozmin; De, Kaushik; de Asmundis, Riccardo; De Castro, Stefano; De Castro Faria Salgado, Pedro; De Cecco, Sandro; de Graat, Julien; De Groot, Nicolo; de Jong, Paul; De La Taille, Christophe; De la Torre, Hector; De Lotto, Barbara; de Mora, Lee; De Nooij, Lucie; De Pedis, Daniele; De Salvo, Alessandro; De Sanctis, Umberto; De Santo, Antonella; De Vivie De Regie, Jean-Baptiste; Dean, Simon; Dearnaley, William James; Debbe, Ramiro; Debenedetti, Chiara; Dedovich, Dmitri; Degenhardt, James; Dehchar, Mohamed; Del Papa, Carlo; Del Peso, Jose; Del Prete, Tarcisio; Delemontex, Thomas; Deliyergiyev, Maksym; Dell'Acqua, Andrea; Dell'Asta, Lidia; Della Pietra, Massimo; della Volpe, Domenico; Delmastro, Marco; Delruelle, Nicolas; Delsart, Pierre-Antoine; Deluca, Carolina; Demers, Sarah; Demichev, Mikhail; Demirkoz, Bilge; Deng, Jianrong; Denisov, Sergey; Derendarz, Dominik; Derkaoui, Jamal Eddine; Derue, Frederic; Dervan, Paul; Desch, Klaus Kurt; Devetak, Erik; Deviveiros, Pier-Olivier; Dewhurst, Alastair; DeWilde, Burton; Dhaliwal, Saminder; Dhullipudi, Ramasudhakar; Di Ciaccio, Anna; Di Ciaccio, Lucia; Di Girolamo, Alessandro; Di Girolamo, Beniamino; Di Luise, Silvestro; Di Mattia, Alessandro; Di Micco, Biagio; Di Nardo, Roberto; Di Simone, Andrea; Di Sipio, Riccardo; Diaz, Marco Aurelio; Diblen, Faruk; Diehl, Edward; Dietrich, Janet; Dietzsch, Thorsten; Diglio, Sara; Dindar Yagci, Kamile; Dingfelder, Jochen; Dionisi, Carlo; Dita, Petre; Dita, Sanda; Dittus, Fridolin; Djama, Fares; Djobava, Tamar; Barros do Vale, Maria Aline; Do Valle Wemans, André; Doan, Thi Kieu Oanh; Dobbs, Matt; Dobinson, Robert; Dobos, Daniel; Dobson, Ellie; Dodd, Jeremy; Doglioni, Caterina; Doherty, Tom; Doi, Yoshikuni; Dolejsi, Jiri; Dolenc, Irena; Dolezal, Zdenek; Dolgoshein, Boris; Dohmae, Takeshi; Donadelli, Marisilvia; Donega, Mauro; Donini, Julien; Dopke, Jens; Doria, Alessandra; Dos Anjos, Andre; Dosil, Mireia; Dotti, Andrea; Dova, Maria-Teresa; Dowell, John; Doxiadis, Alexander; Doyle, Tony; Drasal, Zbynek; Drees, Jürgen; Dressnandt, Nandor; Drevermann, Hans; Driouichi, Chafik; Dris, Manolis; Dubbert, Jörg; Dube, Sourabh; Duchovni, Ehud; Duckeck, Guenter; Dudarev, Alexey; Dudziak, Fanny; Dührssen, Michael; Duerdoth, Ian; Duflot, Laurent; Dufour, Marc-Andre; Dunford, Monica; Duran Yildiz, Hatice; Duxfield, Robert; Dwuznik, Michal; Dydak, Friedrich; Düren, Michael; Ebenstein, William; Ebke, Johannes; Eckweiler, Sebastian; Edmonds, Keith; Edwards, Clive; Edwards, Nicholas Charles; Ehrenfeld, Wolfgang; Ehrich, Thies; Eifert, Till; Eigen, Gerald; Einsweiler, Kevin; Eisenhandler, Eric; Ekelof, Tord; El Kacimi, Mohamed; Ellert, Mattias; Elles, Sabine; Ellinghaus, Frank; Ellis, Katherine; Ellis, Nicolas; Elmsheuser, Johannes; Elsing, Markus; Emeliyanov, Dmitry; Engelmann, Roderich; Engl, Albert; Epp, Brigitte; Eppig, Andrew; Erdmann, Johannes; Ereditato, Antonio; Eriksson, Daniel; Ernst, Jesse; Ernst, Michael; Ernwein, Jean; Errede, Deborah; Errede, Steven; Ertel, Eugen; Escalier, Marc; Escobar, Carlos; Espinal Curull, Xavier; Esposito, Bellisario; Etienne, Francois; Etienvre, Anne-Isabelle; Etzion, Erez; Evangelakou, Despoina; Evans, Hal; Fabbri, Laura; Fabre, Caroline; Fakhrutdinov, Rinat; Falciano, Speranza; Fang, Yaquan; Fanti, Marcello; Farbin, Amir; Farilla, Addolorata; Farley, Jason; Farooque, Trisha; Farrington, Sinead; Farthouat, Philippe; Fassnacht, Patrick; Fassouliotis, Dimitrios; Fatholahzadeh, Baharak; Favareto, Andrea; Fayard, Louis; Fazio, Salvatore; Febbraro, Renato; Federic, Pavol; Fedin, Oleg; Fedorko, Woiciech; Fehling-Kaschek, Mirjam; Feligioni, Lorenzo; Fellmann, Denis; Feng, Cunfeng; Feng, Eric; Fenyuk, Alexander; Ferencei, Jozef; Ferland, Jonathan; Fernando, Waruna; Ferrag, Samir; Ferrando, James; Ferrara, Valentina; Ferrari, Arnaud; Ferrari, Pamela; Ferrari, Roberto; Ferrer, Antonio; Ferrer, Maria Lorenza; Ferrere, Didier; Ferretti, Claudio; Ferretto Parodi, Andrea; Fiascaris, Maria; Fiedler, Frank; Filipčič, Andrej; Filippas, Anastasios; Filthaut, Frank; Fincke-Keeler, Margret; Fiolhais, Miguel; Fiorini, Luca; Firan, Ana; Fischer, Gordon; Fischer, Peter; Fisher, Matthew; Flechl, Martin; Fleck, Ivor; Fleckner, Johanna; Fleischmann, Philipp; Fleischmann, Sebastian; Flick, Tobias; Flores Castillo, Luis; Flowerdew, Michael; Fokitis, Manolis; Fonseca Martin, Teresa; Forbush, David Alan; Formica, Andrea; Forti, Alessandra; Fortin, Dominique; Foster, Joe; Fournier, Daniel; Foussat, Arnaud; Fowler, Andrew; Fowler, Ken; Fox, Harald; Francavilla, Paolo; Franchino, Silvia; Francis, David; Frank, Tal; Franklin, Melissa; Franz, Sebastien; Fraternali, Marco; Fratina, Sasa; French, Sky; Friedrich, Felix; Froeschl, Robert; Froidevaux, Daniel; Frost, James; Fukunaga, Chikara; Fullana Torregrosa, Esteban; Fuster, Juan; Gabaldon, Carolina; Gabizon, Ofir; Gadfort, Thomas; Gadomski, Szymon; Gagliardi, Guido; Gagnon, Pauline; Galea, Cristina; Gallas, Elizabeth; Gallo, Valentina Santina; Gallop, Bruce; Gallus, Petr; Gan, KK; Gao, Yongsheng; Gapienko, Vladimir; Gaponenko, Andrei; Garberson, Ford; Garcia-Sciveres, Maurice; García, Carmen; García Navarro, José Enrique; Gardner, Robert; Garelli, Nicoletta; Garitaonandia, Hegoi; Garonne, Vincent; Garvey, John; Gatti, Claudio; Gaudio, Gabriella; Gaumer, Olivier; Gaur, Bakul; Gauthier, Lea; Gavrilenko, Igor; Gay, Colin; Gaycken, Goetz; Gayde, Jean-Christophe; Gazis, Evangelos; Ge, Peng; Gee, Norman; Geerts, Daniël Alphonsus Adrianus; Geich-Gimbel, Christoph; Gellerstedt, Karl; Gemme, Claudia; Gemmell, Alistair; Genest, Marie-Hélène; Gentile, Simonetta; George, Matthias; George, Simon; Gerlach, Peter; Gershon, Avi; Geweniger, Christoph; Ghazlane, Hamid; Ghodbane, Nabil; Giacobbe, Benedetto; Giagu, Stefano; Giakoumopoulou, Victoria; Giangiobbe, Vincent; Gianotti, Fabiola; Gibbard, Bruce; Gibson, Adam; Gibson, Stephen; Gilbert, Laura; Gilewsky, Valentin; Gillberg, Dag; Gillman, Tony; Gingrich, Douglas; Ginzburg, Jonatan; Giokaris, Nikos; Giordani, MarioPaolo; Giordano, Raffaele; Giorgi, Francesco Michelangelo; Giovannini, Paola; Giraud, Pierre-Francois; Giugni, Danilo; Giunta, Michele; Giusti, Paolo; Gjelsten, Børge Kile; Gladilin, Leonid; Glasman, Claudia; Glatzer, Julian; Glazov, Alexandre; Glitza, Karl-Walter; Glonti, George; Goddard, Jack Robert; Godfrey, Jennifer; Godlewski, Jan; Goebel, Martin; Göpfert, Thomas; Goeringer, Christian; Gössling, Claus; Göttfert, Tobias; Goldfarb, Steven; Golling, Tobias; Golovnia, Serguei; Gomes, Agostinho; Gomez Fajardo, Luz Stella; Gonçalo, Ricardo; Goncalves Pinto Firmino Da Costa, Joao; Gonella, Laura; Gonidec, Allain; Gonzalez, Saul; González de la Hoz, Santiago; Gonzalez Parra, Garoe; Gonzalez Silva, Laura; Gonzalez-Sevilla, Sergio; Goodson, Jeremiah Jet; Goossens, Luc; Gorbounov, Petr Andreevich; Gordon, Howard; Gorelov, Igor; Gorfine, Grant; Gorini, Benedetto; Gorini, Edoardo; Gorišek, Andrej; Gornicki, Edward; Gorokhov, Serguei; Goryachev, Vladimir; Gosdzik, Bjoern; Gosselink, Martijn; Gostkin, Mikhail Ivanovitch; Gough Eschrich, Ivo; Gouighri, Mohamed; Goujdami, Driss; Goulette, Marc Phillippe; Goussiou, Anna; Goy, Corinne; Gozpinar, Serdar; Grabowska-Bold, Iwona; Grafström, Per; Grahn, Karl-Johan; Grancagnolo, Francesco; Grancagnolo, Sergio; Grassi, Valerio; Gratchev, Vadim; Grau, Nathan; Gray, Heather; Gray, Julia Ann; Graziani, Enrico; Grebenyuk, Oleg; Greenshaw, Timothy; Greenwood, Zeno Dixon; Gregersen, Kristian; Gregor, Ingrid-Maria; Grenier, Philippe; Griffiths, Justin; Grigalashvili, Nugzar; Grillo, Alexander; Grinstein, Sebastian; Grishkevich, Yaroslav; Grivaz, Jean-Francois; Groh, Manfred; Gross, Eilam; Grosse-Knetter, Joern; Groth-Jensen, Jacob; Grybel, Kai; Guarino, Victor; Guest, Daniel; Guicheney, Christophe; Guida, Angelo; Guindon, Stefan; Guler, Hulya; Gunther, Jaroslav; Guo, Bin; Guo, Jun; Gupta, Ambreesh; Gusakov, Yury; Gushchin, Vladimir; Gutierrez, Andrea; Gutierrez, Phillip; Guttman, Nir; Gutzwiller, Olivier; Guyot, Claude; Gwenlan, Claire; Gwilliam, Carl; Haas, Andy; Haas, Stefan; Haber, Carl; Hadavand, Haleh Khani; Hadley, David; Haefner, Petra; Hahn, Ferdinand; Haider, Stefan; Hajduk, Zbigniew; Hakobyan, Hrachya; Hall, David; Haller, Johannes; Hamacher, Klaus; Hamal, Petr; Hamer, Matthias; Hamilton, Andrew; Hamilton, Samuel; Han, Hongguang; Han, Liang; Hanagaki, Kazunori; Hanawa, Keita; Hance, Michael; Handel, Carsten; Hanke, Paul; Hansen, John Renner; Hansen, Jørgen Beck; Hansen, Jorn Dines; Hansen, Peter Henrik; Hansson, Per; Hara, Kazuhiko; Hare, Gabriel; Harenberg, Torsten; Harkusha, Siarhei; Harper, Devin; Harrington, Robert; Harris, Orin; Harrison, Karl; Hartert, Jochen; Hartjes, Fred; Haruyama, Tomiyoshi; Harvey, Alex; Hasegawa, Satoshi; Hasegawa, Yoji; Hassani, Samira; Hatch, Mark; Hauff, Dieter; Haug, Sigve; Hauschild, Michael; Hauser, Reiner; Havranek, Miroslav; Hawes, Brian; Hawkes, Christopher; Hawkings, Richard John; Hawkins, Anthony David; Hawkins, Donovan; Hayakawa, Takashi; Hayashi, Takayasu; Hayden, Daniel; Hayward, Helen; Haywood, Stephen; Hazen, Eric; He, Mao; Head, Simon; Hedberg, Vincent; Heelan, Louise; Heim, Sarah; Heinemann, Beate; Heisterkamp, Simon; Helary, Louis; Heller, Claudio; Heller, Matthieu; Hellman, Sten; Hellmich, Dennis; Helsens, Clement; Henderson, Robert; Henke, Michael; Henrichs, Anna; Henriques Correia, Ana Maria; Henrot-Versille, Sophie; Henry-Couannier, Frédéric; Hensel, Carsten; Henß, Tobias; Medina Hernandez, Carlos; Hernández Jiménez, Yesenia; Herrberg, Ruth; Hershenhorn, Alon David; Herten, Gregor; Hertenberger, Ralf; Hervas, Luis; Hessey, Nigel; Higón-Rodriguez, Emilio; Hill, Daniel; Hill, John; Hill, Norman; Hiller, Karl Heinz; Hillert, Sonja; Hillier, Stephen; Hinchliffe, Ian; Hines, Elizabeth; Hirose, Minoru; Hirsch, Florian; Hirschbuehl, Dominic; Hobbs, John; Hod, Noam; Hodgkinson, Mark; Hodgson, Paul; Hoecker, Andreas; Hoeferkamp, Martin; Hoffman, Julia; Hoffmann, Dirk; Hohlfeld, Marc; Holder, Martin; Holmgren, Sven-Olof; Holy, Tomas; Holzbauer, Jenny; Homma, Yasuhiro; Hong, Tae Min; Hooft van Huysduynen, Loek; Horazdovsky, Tomas; Horn, Claus; Horner, Stephan; Hostachy, Jean-Yves; Hou, Suen; Houlden, Michael; Hoummada, Abdeslam; Howarth, James; Howell, David; Hristova, Ivana; Hrivnac, Julius; Hruska, Ivan; Hryn'ova, Tetiana; Hsu, Pai-hsien Jennifer; Hsu, Shih-Chieh; Huang, Guang Shun; Hubacek, Zdenek; Hubaut, Fabrice; Huegging, Fabian; Huettmann, Antje; Huffman, Todd Brian; Hughes, Emlyn; Hughes, Gareth; Hughes-Jones, Richard; Huhtinen, Mika; Hurst, Peter; Hurwitz, Martina; Husemann, Ulrich; Huseynov, Nazim; Huston, Joey; Huth, John; Iacobucci, Giuseppe; Iakovidis, Georgios; Ibbotson, Michael; Ibragimov, Iskander; Ichimiya, Ryo; Iconomidou-Fayard, Lydia; Idarraga, John; Iengo, Paolo; Igonkina, Olga; Ikegami, Yoichi; Ikeno, Masahiro; Ilchenko, Yuri; Iliadis, Dimitrios; Ilic, Nikolina; Imbault, Didier; Imori, Masatoshi; Ince, Tayfun; Inigo-Golfin, Joaquin; Ioannou, Pavlos; Iodice, Mauro; Ippolito, Valerio; Irles Quiles, Adrian; Isaksson, Charlie; Ishikawa, Akimasa; Ishino, Masaya; Ishmukhametov, Renat; Issever, Cigdem; Istin, Serhat; Ivashin, Anton; Iwanski, Wieslaw; Iwasaki, Hiroyuki; Izen, Joseph; Izzo, Vincenzo; Jackson, Brett; Jackson, John; Jackson, Paul; Jaekel, Martin; Jain, Vivek; Jakobs, Karl; Jakobsen, Sune; Jakubek, Jan; Jana, Dilip; Jankowski, Ernest; Jansen, Eric; Jansen, Hendrik; Jantsch, Andreas; Janus, Michel; Jarlskog, Göran; Jeanty, Laura; Jelen, Kazimierz; Jen-La Plante, Imai; Jenni, Peter; Jeremie, Andrea; Jež, Pavel; Jézéquel, Stéphane; Jha, Manoj Kumar; Ji, Haoshuang; Ji, Weina; Jia, Jiangyong; Jiang, Yi; Jimenez Belenguer, Marcos; Jin, Ge; Jin, Shan; Jinnouchi, Osamu; Joergensen, Morten Dam; Joffe, David; Johansen, Lars; Johansen, Marianne; Johansson, Erik; Johansson, Per; Johnert, Sebastian; Johns, Kenneth; Jon-And, Kerstin; Jones, Graham; Jones, Roger; Jones, Tegid; Jones, Tim; Jonsson, Ove; Joram, Christian; Jorge, Pedro; Joseph, John; Jovin, Tatjana; Ju, Xiangyang; Jung, Christian; Jungst, Ralph Markus; Juranek, Vojtech; Jussel, Patrick; Juste Rozas, Aurelio; Kabachenko, Vasily; Kabana, Sonja; Kaci, Mohammed; Kaczmarska, Anna; Kadlecik, Peter; Kado, Marumi; Kagan, Harris; Kagan, Michael; Kaiser, Steffen; Kajomovitz, Enrique; Kalinin, Sergey; Kalinovskaya, Lidia; Kama, Sami; Kanaya, Naoko; Kaneda, Michiru; Kaneti, Steven; Kanno, Takayuki; Kantserov, Vadim; Kanzaki, Junichi; Kaplan, Benjamin; Kapliy, Anton; Kaplon, Jan; Kar, Deepak; Karagounis, Michael; Karagoz, Muge; Karnevskiy, Mikhail; Karr, Kristo; Kartvelishvili, Vakhtang; Karyukhin, Andrey; Kashif, Lashkar; Kasieczka, Gregor; Kass, Richard; Kastanas, Alex; Kataoka, Mayuko; Kataoka, Yousuke; Katsoufis, Elias; Katzy, Judith; Kaushik, Venkatesh; Kawagoe, Kiyotomo; Kawamoto, Tatsuo; Kawamura, Gen; Kayl, Manuel; Kazanin, Vassili; Kazarinov, Makhail; Keeler, Richard; Kehoe, Robert; Keil, Markus; Kekelidze, George; Kennedy, John; Kenney, Christopher John; Kenyon, Mike; Kepka, Oldrich; Kerschen, Nicolas; Kerševan, Borut Paul; Kersten, Susanne; Kessoku, Kohei; Keung, Justin; Khalil-zada, Farkhad; Khandanyan, Hovhannes; Khanov, Alexander; Kharchenko, Dmitri; Khodinov, Alexander; Kholodenko, Anatoli; Khomich, Andrei; Khoo, Teng Jian; Khoriauli, Gia; Khoroshilov, Andrey; Khovanskiy, Nikolai; Khovanskiy, Valery; Khramov, Evgeniy; Khubua, Jemal; Kim, Hyeon Jin; Kim, Min Suk; Kim, Peter; Kim, Shinhong; Kimura, Naoki; Kind, Oliver; King, Barry; King, Matthew; King, Robert Steven Beaufoy; Kirk, Julie; Kirsch, Lawrence; Kiryunin, Andrey; Kishimoto, Tomoe; Kisielewska, Danuta; Kittelmann, Thomas; Kiver, Andrey; Kladiva, Eduard; Klaiber-Lodewigs, Jonas; Klein, Max; Klein, Uta; Kleinknecht, Konrad; Klemetti, Miika; Klier, Amit; Klimek, Pawel; Klimentov, Alexei; Klingenberg, Reiner; Klinkby, Esben; Klioutchnikova, Tatiana; Klok, Peter; Klous, Sander; Kluge, Eike-Erik; Kluge, Thomas; Kluit, Peter; Kluth, Stefan; Knecht, Neil; Kneringer, Emmerich; Knobloch, Juergen; Knoops, Edith; Knue, Andrea; Ko, Byeong Rok; Kobayashi, Tomio; Kobel, Michael; Kocian, Martin; Kodys, Peter; Köneke, Karsten; König, Adriaan; Koenig, Sebastian; Köpke, Lutz; Koetsveld, Folkert; Koevesarki, Peter; Koffas, Thomas; Koffeman, Els; Kogan, Lucy Anne; Kohn, Fabian; Kohout, Zdenek; Kohriki, Takashi; Koi, Tatsumi; Kokott, Thomas; Kolachev, Guennady; Kolanoski, Hermann; Kolesnikov, Vladimir; Koletsou, Iro; Koll, James; Kollar, Daniel; Kollefrath, Michael; Kolya, Scott; Komar, Aston; Komori, Yuto; Kondo, Takahiko; Kono, Takanori; Kononov, Anatoly; Konoplich, Rostislav; Konstantinidis, Nikolaos; Kootz, Andreas; Koperny, Stefan; Korcyl, Krzysztof; Kordas, Kostantinos; Koreshev, Victor; Korn, Andreas; Korol, Aleksandr; Korolkov, Ilya; Korolkova, Elena; Korotkov, Vladislav; Kortner, Oliver; Kortner, Sandra; Kostyukhin, Vadim; Kotamäki, Miikka Juhani; Kotov, Sergey; Kotov, Vladislav; Kotwal, Ashutosh; Kourkoumelis, Christine; Kouskoura, Vasiliki; Koutsman, Alex; Kowalewski, Robert Victor; Kowalski, Tadeusz; Kozanecki, Witold; Kozhin, Anatoly; Kral, Vlastimil; Kramarenko, Viktor; Kramberger, Gregor; Krasny, Mieczyslaw Witold; Krasznahorkay, Attila; Kraus, James; Kraus, Jana; Kreisel, Arik; Krejci, Frantisek; Kretzschmar, Jan; Krieger, Nina; Krieger, Peter; Kroeninger, Kevin; Kroha, Hubert; Kroll, Joe; Kroseberg, Juergen; Krstic, Jelena; Kruchonak, Uladzimir; Krüger, Hans; Kruker, Tobias; Krumnack, Nils; Krumshteyn, Zinovii; Kruth, Andre; Kubota, Takashi; Kuehn, Susanne; Kugel, Andreas; Kuhl, Thorsten; Kuhn, Dietmar; Kukhtin, Victor; Kulchitsky, Yuri; Kuleshov, Sergey; Kummer, Christian; Kuna, Marine; Kundu, Nikhil; Kunkle, Joshua; Kupco, Alexander; Kurashige, Hisaya; Kurata, Masakazu; Kurochkin, Yurii; Kus, Vlastimil; Kuwertz, Emma Sian; Kuze, Masahiro; Kvita, Jiri; Kwee, Regina; La Rosa, Alessandro; La Rotonda, Laura; Labarga, Luis; Labbe, Julien; Lablak, Said; Lacasta, Carlos; Lacava, Francesco; Lacker, Heiko; Lacour, Didier; Lacuesta, Vicente Ramón; Ladygin, Evgueni; Lafaye, Remi; Laforge, Bertrand; Lagouri, Theodota; Lai, Stanley; Laisne, Emmanuel; Lamanna, Massimo; Lampen, Caleb; Lampl, Walter; Lancon, Eric; Landgraf, Ulrich; Landon, Murrough; Landsman, Hagar; Lane, Jenna; Lange, Clemens; Lankford, Andrew; Lanni, Francesco; Lantzsch, Kerstin; Laplace, Sandrine; Lapoire, Cecile; Laporte, Jean-Francois; Lari, Tommaso; Larionov, Anatoly; Larner, Aimee; Lasseur, Christian; Lassnig, Mario; Laurelli, Paolo; Lavrijsen, Wim; Laycock, Paul; Lazarev, Alexandre; Le Dortz, Olivier; Le Guirriec, Emmanuel; Le Maner, Christophe; Le Menedeu, Eve; Lebel, Céline; LeCompte, Thomas; Ledroit-Guillon, Fabienne Agnes Marie; Lee, Hurng-Chun; Lee, Jason; Lee, Shih-Chang; Lee, Lawrence; Lefebvre, Michel; Legendre, Marie; Leger, Annie; LeGeyt, Benjamin; Legger, Federica; Leggett, Charles; Lehmacher, Marc; Lehmann Miotto, Giovanna; Lei, Xiaowen; Leite, Marco Aurelio Lisboa; Leitner, Rupert; Lellouch, Daniel; Leltchouk, Mikhail; Lemmer, Boris; Lendermann, Victor; Leney, Katharine; Lenz, Tatiana; Lenzen, Georg; Lenzi, Bruno; Leonhardt, Kathrin; Leontsinis, Stefanos; Leroy, Claude; Lessard, Jean-Raphael; Lesser, Jonas; Lester, Christopher; Leung Fook Cheong, Annabelle; Levêque, Jessica; Levin, Daniel; Levinson, Lorne; Levitski, Mikhail; Lewis, Adrian; Lewis, George; Leyko, Agnieszka; Leyton, Michael; Li, Bo; Li, Haifeng; Li, Shu; Li, Xuefei; Liang, Zhijun; Liao, Hongbo; Liberti, Barbara; Lichard, Peter; Lichtnecker, Markus; Lie, Ki; Liebig, Wolfgang; Lifshitz, Ronen; Limbach, Christian; Limosani, Antonio; Limper, Maaike; Lin, Simon; Linde, Frank; Linnemann, James; Lipeles, Elliot; Lipinsky, Lukas; Lipniacka, Anna; Liss, Tony; Lissauer, David; Lister, Alison; Litke, Alan; Liu, Chuanlei; Liu, Dong; Liu, Hao; Liu, Jianbei; Liu, Minghui; Liu, Shengli; Liu, Yanwen; Livan, Michele; Livermore, Sarah; Lleres, Annick; Llorente Merino, Javier; Lloyd, Stephen; Lobodzinska, Ewelina; Loch, Peter; Lockman, William; Loddenkoetter, Thomas; Loebinger, Fred; Loginov, Andrey; Loh, Chang Wei; Lohse, Thomas; Lohwasser, Kristin; Lokajicek, Milos; Loken, James; Lombardo, Vincenzo Paolo; Long, Robin Eamonn; Lopes, Lourenco; Lopez Mateos, David; Lorenz, Jeanette; Losada, Marta; Loscutoff, Peter; Lo Sterzo, Francesco; Losty, Michael; Lou, Xinchou; Lounis, Abdenour; Loureiro, Karina; Love, Jeremy; Love, Peter; Lowe, Andrew; Lu, Feng; Lubatti, Henry; Luci, Claudio; Lucotte, Arnaud; Ludwig, Andreas; Ludwig, Dörthe; Ludwig, Inga; Ludwig, Jens; Luehring, Frederick; Luijckx, Guy; Lumb, Debra; Luminari, Lamberto; Lund, Esben; Lund-Jensen, Bengt; Lundberg, Björn; Lundberg, Johan; Lundquist, Johan; Lungwitz, Matthias; Lutz, Gerhard; Lynn, David; Lys, Jeremy; Lytken, Else; Ma, Hong; Ma, Lian Liang; Macana Goia, Jorge Andres; Maccarrone, Giovanni; Macchiolo, Anna; Maček, Boštjan; Machado Miguens, Joana; Mackeprang, Rasmus; Madaras, Ronald; Mader, Wolfgang; Maenner, Reinhard; Maeno, Tadashi; Mättig, Peter; Mättig, Stefan; Magnoni, Luca; Magradze, Erekle; Mahalalel, Yair; Mahboubi, Kambiz; Mahout, Gilles; Maiani, Camilla; Maidantchik, Carmen; Maio, Amélia; Majewski, Stephanie; Makida, Yasuhiro; Makovec, Nikola; Mal, Prolay; Malaescu, Bogdan; Malecki, Pawel; Malecki, Piotr; Maleev, Victor; Malek, Fairouz; Mallik, Usha; Malon, David; Malone, Caitlin; Maltezos, Stavros; Malyshev, Vladimir; Malyukov, Sergei; Mameghani, Raphael; Mamuzic, Judita; Manabe, Atsushi; Mandelli, Luciano; Mandić, Igor; Mandrysch, Rocco; Maneira, José; Mangeard, Pierre-Simon; Manhaes de Andrade Filho, Luciano; Manjavidze, Ioseb; Mann, Alexander; Manning, Peter; Manousakis-Katsikakis, Arkadios; Mansoulie, Bruno; Manz, Andreas; Mapelli, Alessandro; Mapelli, Livio; March, Luis; Marchand, Jean-Francois; Marchese, Fabrizio; Marchiori, Giovanni; Marcisovsky, Michal; Marin, Alexandru; Marino, Christopher; Marroquim, Fernando; Marshall, Robin; Marshall, Zach; Martens, Kalen; Marti-Garcia, Salvador; Martin, Andrew; Martin, Brian; Martin, Brian Thomas; Martin, Franck Francois; Martin, Jean-Pierre; Martin, Philippe; Martin, Tim; Martin, Victoria Jane; Martin dit Latour, Bertrand; Martin-Haugh, Stewart; Martinez, Mario; Martinez Outschoorn, Verena; Martyniuk, Alex; Marx, Marilyn; Marzano, Francesco; Marzin, Antoine; Masetti, Lucia; Mashimo, Tetsuro; Mashinistov, Ruslan; Masik, Jiri; Maslennikov, Alexey; Massa, Ignazio; Massaro, Graziano; Massol, Nicolas; Mastrandrea, Paolo; Mastroberardino, Anna; Masubuchi, Tatsuya; Mathes, Markus; Matricon, Pierre; Matsumoto, Hiroshi; Matsunaga, Hiroyuki; Matsushita, Takashi; Mattravers, Carly; Maugain, Jean-Marie; Maurer, Julien; Maxfield, Stephen; Maximov, Dmitriy; May, Edward; Mayne, Anna; Mazini, Rachid; Mazur, Michael; Mazzanti, Marcello; Mazzoni, Enrico; Mc Kee, Shawn Patrick; McCarn, Allison; McCarthy, Robert; McCarthy, Tom; McCubbin, Norman; McFarlane, Kenneth; Mcfayden, Josh; McGlone, Helen; Mchedlidze, Gvantsa; McLaren, Robert Andrew; Mclaughlan, Tom; McMahon, Steve; McPherson, Robert; Meade, Andrew; Mechnich, Joerg; Mechtel, Markus; Medinnis, Mike; Meera-Lebbai, Razzak; Meguro, Tatsuma; Mehdiyev, Rashid; Mehlhase, Sascha; Mehta, Andrew; Meier, Karlheinz; Meirose, Bernhard; Melachrinos, Constantinos; Mellado Garcia, Bruce Rafael; Mendoza Navas, Luis; Meng, Zhaoxia; Mengarelli, Alberto; Menke, Sven; Menot, Claude; Meoni, Evelin; Mercurio, Kevin Michael; Mermod, Philippe; Merola, Leonardo; Meroni, Chiara; Merritt, Frank; Messina, Andrea; Metcalfe, Jessica; Mete, Alaettin Serhan; Meyer, Carsten; Meyer, Christopher; Meyer, Jean-Pierre; Meyer, Jochen; Meyer, Joerg; Meyer, Thomas Christian; Meyer, W Thomas; Miao, Jiayuan; Michal, Sebastien; Micu, Liliana; Middleton, Robin; Migas, Sylwia; Mijović, Liza; Mikenberg, Giora; Mikestikova, Marcela; Mikuž, Marko; Miller, David; Miller, Robert; Mills, Bill; Mills, Corrinne; Milov, Alexander; Milstead, David; Milstein, Dmitry; Minaenko, Andrey; Miñano Moya, Mercedes; Minashvili, Irakli; Mincer, Allen; Mindur, Bartosz; Mineev, Mikhail; Ming, Yao; Mir, Lluisa-Maria; Mirabelli, Giovanni; Miralles Verge, Lluis; Misiejuk, Andrzej; Mitrevski, Jovan; Mitrofanov, Gennady; Mitsou, Vasiliki A; Mitsui, Shingo; Miyagawa, Paul; Miyazaki, Kazuki; Mjörnmark, Jan-Ulf; Moa, Torbjoern; Mockett, Paul; Moed, Shulamit; Moeller, Victoria; Mönig, Klaus; Möser, Nicolas; Mohapatra, Soumya; Mohr, Wolfgang; Mohrdieck-Möck, Susanne; Moisseev, Artemy; Moles-Valls, Regina; Molina-Perez, Jorge; Monk, James; Monnier, Emmanuel; Montesano, Simone; Monticelli, Fernando; Monzani, Simone; Moore, Roger; Moorhead, Gareth; Mora Herrera, Clemencia; Moraes, Arthur; Morange, Nicolas; Morel, Julien; Morello, Gianfranco; Moreno, Deywis; Moreno Llácer, María; Morettini, Paolo; Morii, Masahiro; Morin, Jerome; Morley, Anthony Keith; Mornacchi, Giuseppe; Morozov, Sergey; Morris, John; Morvaj, Ljiljana; Moser, Hans-Guenther; Mosidze, Maia; Moss, Josh; Mount, Richard; Mountricha, Eleni; Mouraviev, Sergei; Moyse, Edward; Mudrinic, Mihajlo; Mueller, Felix; Mueller, James; Mueller, Klemens; Müller, Thomas; Mueller, Timo; Muenstermann, Daniel; Muir, Alex; Munwes, Yonathan; Murray, Bill; Mussche, Ido; Musto, Elisa; Myagkov, Alexey; Myska, Miroslav; Nadal, Jordi; Nagai, Koichi; Nagano, Kunihiro; Nagasaka, Yasushi; Nagel, Martin; Nairz, Armin Michael; Nakahama, Yu; Nakamura, Koji; Nakamura, Tomoaki; Nakano, Itsuo; Nanava, Gizo; Napier, Austin; Narayan, Rohin; Nash, Michael; Nation, Nigel; Nattermann, Till; Naumann, Thomas; Navarro, Gabriela; Neal, Homer; Nebot, Eduardo; Nechaeva, Polina; Negri, Andrea; Negri, Guido; Nektarijevic, Snezana; Nelson, Andrew; Nelson, Silke; Nelson, Timothy Knight; Nemecek, Stanislav; Nemethy, Peter; Nepomuceno, Andre Asevedo; Nessi, Marzio; Neubauer, Mark; Neusiedl, Andrea; Neves, Ricardo; Nevski, Pavel; Newman, Paul; Nguyen Thi Hong, Van; Nickerson, Richard; Nicolaidou, Rosy; Nicolas, Ludovic; Nicquevert, Bertrand; Niedercorn, Francois; Nielsen, Jason; Niinikoski, Tapio; Nikiforou, Nikiforos; Nikiforov, Andriy; Nikolaenko, Vladimir; Nikolaev, Kirill; Nikolic-Audit, Irena; Nikolics, Katalin; Nikolopoulos, Konstantinos; Nilsen, Henrik; Nilsson, Paul; Ninomiya, Yoichi; Nisati, Aleandro; Nishiyama, Tomonori; Nisius, Richard; Nodulman, Lawrence; Nomachi, Masaharu; Nomidis, Ioannis; Nordberg, Markus; Nordkvist, Bjoern; Norton, Peter; Novakova, Jana; Nozaki, Mitsuaki; Nozka, Libor; Nugent, Ian Michael; Nuncio-Quiroz, Adriana-Elizabeth; Nunes Hanninger, Guilherme; Nunnemann, Thomas; Nurse, Emily; Nyman, Tommi; O'Brien, Brendan Joseph; O'Neale, Steve; O'Neil, Dugan; O'Shea, Val; Oakes, Louise Beth; Oakham, Gerald; Oberlack, Horst; Ocariz, Jose; Ochi, Atsuhiko; Oda, Susumu; Odaka, Shigeru; Odier, Jerome; Ogren, Harold; Oh, Alexander; Oh, Seog; Ohm, Christian; Ohshima, Takayoshi; Ohshita, Hidetoshi; Ohsugi, Takashi; Okada, Shogo; Okawa, Hideki; Okumura, Yasuyuki; Okuyama, Toyonobu; Olariu, Albert; Olcese, Marco; Olchevski, Alexander; Oliveira, Miguel Alfonso; Oliveira Damazio, Denis; Oliver Garcia, Elena; Olivito, Dominick; Olszewski, Andrzej; Olszowska, Jolanta; Omachi, Chihiro; Onofre, António; Onyisi, Peter; Oram, Christopher; Oreglia, Mark; Oren, Yona; Orestano, Domizia; Orlov, Iliya; Oropeza Barrera, Cristina; Orr, Robert; Osculati, Bianca; Ospanov, Rustem; Osuna, Carlos; Otero y Garzon, Gustavo; Ottersbach, John; Ouchrif, Mohamed; Ouellette, Eric; Ould-Saada, Farid; Ouraou, Ahmimed; Ouyang, Qun; Ovcharova, Ana; Owen, Mark; Owen, Simon; Ozcan, Veysi Erkcan; Ozturk, Nurcan; Pacheco Pages, Andres; Padilla Aranda, Cristobal; Pagan Griso, Simone; Paganis, Efstathios; Paige, Frank; Pais, Preema; Pajchel, Katarina; Palacino, Gabriel; Paleari, Chiara; Palestini, Sandro; Pallin, Dominique; Palma, Alberto; Palmer, Jody; Pan, Yibin; Panagiotopoulou, Evgenia; Panes, Boris; Panikashvili, Natalia; Panitkin, Sergey; Pantea, Dan; Panuskova, Monika; Paolone, Vittorio; Papadelis, Aras; Papadopoulou, Theodora; Paramonov, Alexander; Park, Woochun; Parker, Andy; Parodi, Fabrizio; Parsons, John; Parzefall, Ulrich; Pasqualucci, Enrico; Passaggio, Stefano; Passeri, Antonio; Pastore, Fernanda; Pastore, Francesca; Pásztor, Gabriella; Pataraia, Sophio; Patel, Nikhul; Pater, Joleen; Patricelli, Sergio; Pauly, Thilo; Pecsy, Martin; Pedraza Morales, Maria Isabel; Peleganchuk, Sergey; Peng, Haiping; Pengo, Ruggero; Penson, Alexander; Penwell, John; Perantoni, Marcelo; Perez, Kerstin; Perez Cavalcanti, Tiago; Perez Codina, Estel; Pérez García-Estañ, María Teresa; Perez Reale, Valeria; Perini, Laura; Pernegger, Heinz; Perrino, Roberto; Perrodo, Pascal; Persembe, Seda; Perus, Antoine; Peshekhonov, Vladimir; Peters, Krisztian; Petersen, Brian; Petersen, Jorgen; Petersen, Troels; Petit, Elisabeth; Petridis, Andreas; Petridou, Chariclia; Petrolo, Emilio; Petrucci, Fabrizio; Petschull, Dennis; Petteni, Michele; Pezoa, Raquel; Phan, Anna; Phillips, Peter William; Piacquadio, Giacinto; Piccaro, Elisa; Piccinini, Maurizio; Piec, Sebastian Marcin; Piegaia, Ricardo; Pignotti, David; Pilcher, James; Pilkington, Andrew; Pina, João Antonio; Pinamonti, Michele; Pinder, Alex; Pinfold, James; Ping, Jialun; Pinto, Belmiro; Pirotte, Olivier; Pizio, Caterina; Plamondon, Mathieu; Pleier, Marc-Andre; Pleskach, Anatoly; Poblaguev, Andrei; Poddar, Sahill; Podlyski, Fabrice; Poggioli, Luc; Poghosyan, Tatevik; Pohl, Martin; Polci, Francesco; Polesello, Giacomo; Policicchio, Antonio; Polini, Alessandro; Poll, James; Polychronakos, Venetios; Pomarede, Daniel Marc; Pomeroy, Daniel; Pommès, Kathy; Pontecorvo, Ludovico; Pope, Bernard; Popeneciu, Gabriel Alexandru; Popovic, Dragan; Poppleton, Alan; Portell Bueso, Xavier; Posch, Christoph; Pospelov, Guennady; Pospisil, Stanislav; Potrap, Igor; Potter, Christina; Potter, Christopher; Poulard, Gilbert; Poveda, Joaquin; Prabhu, Robindra; Pralavorio, Pascal; Pranko, Aliaksandr; Prasad, Srivas; Pravahan, Rishiraj; Prell, Soeren; Pretzl, Klaus Peter; Pribyl, Lukas; Price, Darren; Price, Joe; Price, Lawrence; Price, Michael John; Prieur, Damien; Primavera, Margherita; Prokofiev, Kirill; Prokoshin, Fedor; Protopopescu, Serban; Proudfoot, James; Prudent, Xavier; Przybycien, Mariusz; Przysiezniak, Helenka; Psoroulas, Serena; Ptacek, Elizabeth; Pueschel, Elisa; Purdham, John; Purohit, Milind; Puzo, Patrick; Pylypchenko, Yuriy; Qian, Jianming; Qian, Zuxuan; Qin, Zhonghua; Quadt, Arnulf; Quarrie, David; Quayle, William; Quinonez, Fernando; Raas, Marcel; Radescu, Voica; Radics, Balint; Radloff, Peter; Rador, Tonguc; Ragusa, Francesco; Rahal, Ghita; Rahimi, Amir; Rahm, David; Rajagopalan, Srinivasan; Rammensee, Michael; Rammes, Marcus; Randle-Conde, Aidan Sean; Randrianarivony, Koloina; Ratoff, Peter; Rauscher, Felix; Raymond, Michel; Read, Alexander Lincoln; Rebuzzi, Daniela; Redelbach, Andreas; Redlinger, George; Reece, Ryan; Reeves, Kendall; Reichold, Armin; Reinherz-Aronis, Erez; Reinsch, Andreas; Reisinger, Ingo; Reljic, Dusan; Rembser, Christoph; Ren, Zhongliang; Renaud, Adrien; Renkel, Peter; Rescigno, Marco; Resconi, Silvia; Resende, Bernardo; Reznicek, Pavel; Rezvani, Reyhaneh; Richards, Alexander; Richter, Robert; Richter-Was, Elzbieta; Ridel, Melissa; Rijpstra, Manouk; Rijssenbeek, Michael; Rimoldi, Adele; Rinaldi, Lorenzo; Rios, Ryan Randy; Riu, Imma; Rivoltella, Giancesare; Rizatdinova, Flera; Rizvi, Eram; Robertson, Steven; Robichaud-Veronneau, Andree; Robinson, Dave; Robinson, James; Robinson, Mary; Robson, Aidan; Rocha de Lima, Jose Guilherme; Roda, Chiara; Roda Dos Santos, Denis; Rodriguez, Diego; Roe, Adam; Roe, Shaun; Røhne, Ole; Rojo, Victoria; Rolli, Simona; Romaniouk, Anatoli; Romano, Marino; Romanov, Victor; Romeo, Gaston; Romero Adam, Elena; Roos, Lydia; Ros, Eduardo; Rosati, Stefano; Rosbach, Kilian; Rose, Anthony; Rose, Matthew; Rosenbaum, Gabriel; Rosenberg, Eli; Rosendahl, Peter Lundgaard; Rosenthal, Oliver; Rosselet, Laurent; Rossetti, Valerio; Rossi, Elvira; Rossi, Leonardo Paolo; Rotaru, Marina; Roth, Itamar; Rothberg, Joseph; Rousseau, David; Royon, Christophe; Rozanov, Alexander; Rozen, Yoram; Ruan, Xifeng; Rubinskiy, Igor; Ruckert, Benjamin; Ruckstuhl, Nicole; Rud, Viacheslav; Rudolph, Christian; Rudolph, Gerald; Rühr, Frederik; Ruggieri, Federico; Ruiz-Martinez, Aranzazu; Rumiantsev, Viktor; Rumyantsev, Leonid; Runge, Kay; Rurikova, Zuzana; Rusakovich, Nikolai; Rust, Dave; Rutherfoord, John; Ruwiedel, Christoph; Ruzicka, Pavel; Ryabov, Yury; Ryadovikov, Vasily; Ryan, Patrick; Rybar, Martin; Rybkin, Grigori; Ryder, Nick; Rzaeva, Sevda; Saavedra, Aldo; Sadeh, Iftach; Sadrozinski, Hartmut; Sadykov, Renat; Safai Tehrani, Francesco; Sakamoto, Hiroshi; Salamanna, Giuseppe; Salamon, Andrea; Saleem, Muhammad; Salihagic, Denis; Salnikov, Andrei; Salt, José; Salvachua Ferrando, Belén; Salvatore, Daniela; Salvatore, Pasquale Fabrizio; Salvucci, Antonio; Salzburger, Andreas; Sampsonidis, Dimitrios; Samset, Björn Hallvard; Sanchez, Arturo; Sandaker, Heidi; Sander, Heinz Georg; Sanders, Michiel; Sandhoff, Marisa; Sandoval, Tanya; Sandoval, Carlos; Sandstroem, Rikard; Sandvoss, Stephan; Sankey, Dave; Sansoni, Andrea; Santamarina Rios, Cibran; Santoni, Claudio; Santonico, Rinaldo; Santos, Helena; Saraiva, João; Sarangi, Tapas; Sarkisyan-Grinbaum, Edward; Sarri, Francesca; Sartisohn, Georg; Sasaki, Osamu; Sasao, Noboru; Satsounkevitch, Igor; Sauvage, Gilles; Sauvan, Emmanuel; Sauvan, Jean-Baptiste; Savard, Pierre; Savinov, Vladimir; Savu, Dan Octavian; Sawyer, Lee; Saxon, David; Says, Louis-Pierre; Sbarra, Carla; Sbrizzi, Antonio; Scallon, Olivia; Scannicchio, Diana; Scarcella, Mark; Schaarschmidt, Jana; Schacht, Peter; Schäfer, Uli; Schaepe, Steffen; Schaetzel, Sebastian; Schaffer, Arthur; Schaile, Dorothee; Schamberger, R. Dean; Schamov, Andrey; Scharf, Veit; Schegelsky, Valery; Scheirich, Daniel; Schernau, Michael; Scherzer, Max; Schiavi, Carlo; Schieck, Jochen; Schioppa, Marco; Schlenker, Stefan; Schlereth, James; Schmidt, Evelyn; Schmieden, Kristof; Schmitt, Christian; Schmitt, Sebastian; Schmitz, Martin; Schöning, André; Schott, Matthias; Schouten, Doug; Schovancova, Jaroslava; Schram, Malachi; Schroeder, Christian; Schroer, Nicolai; Schuh, Silvia; Schuler, Georges; Schultes, Joachim; Schultz-Coulon, Hans-Christian; Schulz, Holger; Schumacher, Jan; Schumacher, Markus; Schumm, Bruce; Schune, Philippe; Schwanenberger, Christian; Schwartzman, Ariel; Schwemling, Philippe; Schwienhorst, Reinhard; Schwierz, Rainer; Schwindling, Jerome; Schwindt, Thomas; Schwoerer, Maud; Scott, Bill; Searcy, Jacob; Sedov, George; Sedykh, Evgeny; Segura, Ester; Seidel, Sally; Seiden, Abraham; Seifert, Frank; Seixas, José; Sekhniaidze, Givi; Selbach, Karoline Elfriede; Seliverstov, Dmitry; Sellden, Bjoern; Sellers, Graham; Seman, Michal; Semprini-Cesari, Nicola; Serfon, Cedric; Serin, Laurent; Seuster, Rolf; Severini, Horst; Sevior, Martin; Sfyrla, Anna; Shabalina, Elizaveta; Shamim, Mansoora; Shan, Lianyou; Shank, James; Shao, Qi Tao; Shapiro, Marjorie; Shatalov, Pavel; Shaver, Leif; Shaw, Kate; Sherman, Daniel; Sherwood, Peter; Shibata, Akira; Shichi, Hideharu; Shimizu, Shima; Shimojima, Makoto; Shin, Taeksu; Shiyakova, Maria; Shmeleva, Alevtina; Shochet, Mel; Short, Daniel; Shrestha, Suyog; Shupe, Michael; Sicho, Petr; Sidoti, Antonio; Siegert, Frank; Sijacki, Djordje; Silbert, Ohad; Silva, José; Silver, Yiftah; Silverstein, Daniel; Silverstein, Samuel; Simak, Vladislav; Simard, Olivier; Simic, Ljiljana; Simion, Stefan; Simmons, Brinick; Simonyan, Margar; Sinervo, Pekka; Sinev, Nikolai; Sipica, Valentin; Siragusa, Giovanni; Sircar, Anirvan; Sisakyan, Alexei; Sivoklokov, Serguei; Sjölin, Jörgen; Sjursen, Therese; Skinnari, Louise Anastasia; Skottowe, Hugh Philip; Skovpen, Kirill; Skubic, Patrick; Skvorodnev, Nikolai; Slater, Mark; Slavicek, Tomas; Sliwa, Krzysztof; Sloper, John erik; Smakhtin, Vladimir; Smirnov, Sergei; Smirnova, Lidia; Smirnova, Oxana; Smith, Ben Campbell; Smith, Douglas; Smith, Kenway; Smizanska, Maria; Smolek, Karel; Snesarev, Andrei; Snow, Steve; Snow, Joel; Snuverink, Jochem; Snyder, Scott; Soares, Mara; Sobie, Randall; Sodomka, Jaromir; Soffer, Abner; Solans, Carlos; Solar, Michael; Solc, Jaroslav; Soldatov, Evgeny; Soldevila, Urmila; Solfaroli Camillocci, Elena; Solodkov, Alexander; Solovyanov, Oleg; Soni, Nitesh; Sopko, Vit; Sopko, Bruno; Sosebee, Mark; Soualah, Rachik; Soukharev, Andrey; Spagnolo, Stefania; Spanò, Francesco; Spighi, Roberto; Spigo, Giancarlo; Spila, Federico; Spiwoks, Ralf; Spousta, Martin; Spreitzer, Teresa; Spurlock, Barry; St Denis, Richard Dante; Stahl, Thorsten; Stahlman, Jonathan; Stamen, Rainer; Stanecka, Ewa; Stanek, Robert; Stanescu, Cristian; Stapnes, Steinar; Starchenko, Evgeny; Stark, Jan; Staroba, Pavel; Starovoitov, Pavel; Staude, Arnold; Stavina, Pavel; Stavropoulos, Georgios; Steele, Genevieve; Steinbach, Peter; Steinberg, Peter; Stekl, Ivan; Stelzer, Bernd; Stelzer, Harald Joerg; Stelzer-Chilton, Oliver; Stenzel, Hasko; Stern, Sebastian; Stevenson, Kyle; Stewart, Graeme; Stillings, Jan Andre; Stockton, Mark; Stoerig, Kathrin; Stoicea, Gabriel; Stonjek, Stefan; Strachota, Pavel; Stradling, Alden; Straessner, Arno; Strandberg, Jonas; Strandberg, Sara; Strandlie, Are; Strang, Michael; Strauss, Emanuel; Strauss, Michael; Strizenec, Pavol; Ströhmer, Raimund; Strom, David; Strong, John; Stroynowski, Ryszard; Strube, Jan; Stugu, Bjarne; Stumer, Iuliu; Stupak, John; Sturm, Philipp; Styles, Nicholas Adam; Soh, Dart-yin; Su, Dong; Subramania, Halasya Siva; Succurro, Antonella; Sugaya, Yorihito; Sugimoto, Takuya; Suhr, Chad; Suita, Koichi; Suk, Michal; Sulin, Vladimir; Sultansoy, Saleh; Sumida, Toshi; Sun, Xiaohu; Sundermann, Jan Erik; Suruliz, Kerim; Sushkov, Serge; Susinno, Giancarlo; Sutton, Mark; Suzuki, Yu; Suzuki, Yuta; Svatos, Michal; Sviridov, Yuri; Swedish, Stephen; Sykora, Ivan; Sykora, Tomas; Szeless, Balazs; Sánchez, Javier; Ta, Duc; Tackmann, Kerstin; Taffard, Anyes; Tafirout, Reda; Taiblum, Nimrod; Takahashi, Yuta; Takai, Helio; Takashima, Ryuichi; Takeda, Hiroshi; Takeshita, Tohru; Takubo, Yosuke; Talby, Mossadek; Talyshev, Alexey; Tamsett, Matthew; Tanaka, Junichi; Tanaka, Reisaburo; Tanaka, Satoshi; Tanaka, Shuji; Tanaka, Yoshito; Tanasijczuk, Andres Jorge; Tani, Kazutoshi; Tannoury, Nancy; Tappern, Geoffrey; Tapprogge, Stefan; Tardif, Dominique; Tarem, Shlomit; Tarrade, Fabien; Tartarelli, Giuseppe Francesco; Tas, Petr; Tasevsky, Marek; Tassi, Enrico; Tatarkhanov, Mous; Tayalati, Yahya; Taylor, Christopher; Taylor, Frank; Taylor, Geoffrey; Taylor, Wendy; Teinturier, Marthe; Teixeira Dias Castanheira, Matilde; Teixeira-Dias, Pedro; Temming, Kim Katrin; Ten Kate, Herman; Teng, Ping-Kun; Terada, Susumu; Terashi, Koji; Terron, Juan; Testa, Marianna; Teuscher, Richard; Thadome, Jocelyn; Therhaag, Jan; Theveneaux-Pelzer, Timothée; Thioye, Moustapha; Thoma, Sascha; Thomas, Juergen; Thompson, Emily; Thompson, Paul; Thompson, Peter; Thompson, Stan; Thomson, Evelyn; Thomson, Mark; Thun, Rudolf; Tian, Feng; Tibbetts, Mark James; Tic, Tomáš; Tikhomirov, Vladimir; Tikhonov, Yury; Timoshenko, Sergey; Tipton, Paul; Tique Aires Viegas, Florbela De Jes; Tisserant, Sylvain; Toczek, Barbara; Todorov, Theodore; Todorova-Nova, Sharka; Toggerson, Brokk; Tojo, Junji; Tokár, Stanislav; Tokunaga, Kaoru; Tokushuku, Katsuo; Tollefson, Kirsten; Tomoto, Makoto; Tompkins, Lauren; Toms, Konstantin; Tong, Guoliang; Tonoyan, Arshak; Topfel, Cyril; Topilin, Nikolai; Torchiani, Ingo; Torrence, Eric; Torres, Heberth; Torró Pastor, Emma; Toth, Jozsef; Touchard, Francois; Tovey, Daniel; Trefzger, Thomas; Tremblet, Louis; Tricoli, Alesandro; Trigger, Isabel Marian; Trincaz-Duvoid, Sophie; Trinh, Thi Nguyet; Tripiana, Martin; Trischuk, William; Trivedi, Arjun; Trocmé, Benjamin; Troncon, Clara; Trottier-McDonald, Michel; Trzebinski, Maciej; Trzupek, Adam; Tsarouchas, Charilaos; Tseng, Jeffrey; Tsiakiris, Menelaos; Tsiareshka, Pavel; Tsionou, Dimitra; Tsipolitis, Georgios; Tsiskaridze, Vakhtang; Tskhadadze, Edisher; Tsukerman, Ilya; Tsulaia, Vakhtang; Tsung, Jieh-Wen; Tsuno, Soshi; Tsybychev, Dmitri; Tua, Alan; Tudorache, Alexandra; Tudorache, Valentina; Tuggle, Joseph; Turala, Michal; Turecek, Daniel; Turk Cakir, Ilkay; Turlay, Emmanuel; Turra, Ruggero; Tuts, Michael; Tykhonov, Andrii; Tylmad, Maja; Tyndel, Mike; Tzanakos, George; Uchida, Kirika; Ueda, Ikuo; Ueno, Ryuichi; Ugland, Maren; Uhlenbrock, Mathias; Uhrmacher, Michael; Ukegawa, Fumihiko; Unal, Guillaume; Underwood, David; Undrus, Alexander; Unel, Gokhan; Unno, Yoshinobu; Urbaniec, Dustin; Usai, Giulio; Uslenghi, Massimiliano; Vacavant, Laurent; Vacek, Vaclav; Vachon, Brigitte; Vahsen, Sven; Valenta, Jan; Valente, Paolo; Valentinetti, Sara; Valkar, Stefan; Valladolid Gallego, Eva; Vallecorsa, Sofia; Valls Ferrer, Juan Antonio; van der Graaf, Harry; van der Kraaij, Erik; Van Der Leeuw, Robin; van der Poel, Egge; van der Ster, Daniel; van Eldik, Niels; van Gemmeren, Peter; van Kesteren, Zdenko; van Vulpen, Ivo; Vanadia, Marco; Vandelli, Wainer; Vandoni, Giovanna; Vaniachine, Alexandre; Vankov, Peter; Vannucci, Francois; Varela Rodriguez, Fernando; Vari, Riccardo; Varnes, Erich; Varouchas, Dimitris; Vartapetian, Armen; Varvell, Kevin; Vassilakopoulos, Vassilios; Vazeille, Francois; Vegni, Guido; Veillet, Jean-Jacques; Vellidis, Constantine; Veloso, Filipe; Veness, Raymond; Veneziano, Stefano; Ventura, Andrea; Ventura, Daniel; Venturi, Manuela; Venturi, Nicola; Vercesi, Valerio; Verducci, Monica; Verkerke, Wouter; Vermeulen, Jos; Vest, Anja; Vetterli, Michel; Vichou, Irene; Vickey, Trevor; Vickey Boeriu, Oana Elena; Viehhauser, Georg; Viel, Simon; Villa, Mauro; Villaplana Perez, Miguel; Vilucchi, Elisabetta; Vincter, Manuella; Vinek, Elisabeth; Vinogradov, Vladimir; Virchaux, Marc; Virzi, Joseph; Vitells, Ofer; Viti, Michele; Vivarelli, Iacopo; Vives Vaque, Francesc; Vlachos, Sotirios; Vladoiu, Dan; Vlasak, Michal; Vlasov, Nikolai; Vogel, Adrian; Vokac, Petr; Volpi, Guido; Volpi, Matteo; Volpini, Giovanni; von der Schmitt, Hans; von Loeben, Joerg; von Radziewski, Holger; von Toerne, Eckhard; Vorobel, Vit; Vorobiev, Alexander; Vorwerk, Volker; Vos, Marcel; Voss, Rudiger; Voss, Thorsten Tobias; Vossebeld, Joost; Vranjes, Nenad; Vranjes Milosavljevic, Marija; Vrba, Vaclav; Vreeswijk, Marcel; Vu Anh, Tuan; Vuillermet, Raphael; Vukotic, Ilija; Wagner, Wolfgang; Wagner, Peter; Wahlen, Helmut; Wakabayashi, Jun; Walbersloh, Jorg; Walch, Shannon; Walder, James; Walker, Rodney; Walkowiak, Wolfgang; Wall, Richard; Waller, Peter; Wang, Chiho; Wang, Haichen; Wang, Hulin; Wang, Jike; Wang, Jin; Wang, Joshua C; Wang, Rui; Wang, Song-Ming; Warburton, Andreas; Ward, Patricia; Warsinsky, Markus; Watkins, Peter; Watson, Alan; Watson, Ian; Watson, Miriam; Watts, Gordon; Watts, Stephen; Waugh, Anthony; Waugh, Ben; Weber, Marc; Weber, Michele; Weber, Pavel; Weidberg, Anthony; Weigell, Philipp; Weingarten, Jens; Weiser, Christian; Wellenstein, Hermann; Wells, Phillippa; Wen, Mei; Wenaus, Torre; Wendler, Shanti; Weng, Zhili; Wengler, Thorsten; Wenig, Siegfried; Wermes, Norbert; Werner, Matthias; Werner, Per; Werth, Michael; Wessels, Martin; Weydert, Carole; Whalen, Kathleen; Wheeler-Ellis, Sarah Jane; Whitaker, Scott; White, Andrew; White, Martin; Whitehead, Samuel Robert; Whiteson, Daniel; Whittington, Denver; Wicek, Francois; Wicke, Daniel; Wickens, Fred; Wiedenmann, Werner; Wielers, Monika; Wienemann, Peter; Wiglesworth, Craig; Wiik-Fuchs, Liv Antje Mari; Wijeratne, Peter Alexander; Wildauer, Andreas; Wildt, Martin Andre; Wilhelm, Ivan; Wilkens, Henric George; Will, Jonas Zacharias; Williams, Eric; Williams, Hugh; Willis, William; Willocq, Stephane; Wilson, John; Wilson, Michael Galante; Wilson, Alan; Wingerter-Seez, Isabelle; Winkelmann, Stefan; Winklmeier, Frank; Wittgen, Matthias; Wolter, Marcin Wladyslaw; Wolters, Helmut; Wong, Wei-Cheng; Wooden, Gemma; Wosiek, Barbara; Wotschack, Jorg; Woudstra, Martin; Wozniak, Krzysztof; Wraight, Kenneth; Wright, Catherine; Wright, Michael; Wrona, Bozydar; Wu, Sau Lan; Wu, Xin; Wu, Yusheng; Wulf, Evan; Wunstorf, Renate; Wynne, Benjamin; Xella, Stefania; Xiao, Meng; Xie, Song; Xie, Yigang; Xu, Chao; Xu, Da; Xu, Guofa; Yabsley, Bruce; Yacoob, Sahal; Yamada, Miho; Yamaguchi, Hiroshi; Yamamoto, Akira; Yamamoto, Kyoko; Yamamoto, Shimpei; Yamamura, Taiki; Yamanaka, Takashi; Yamaoka, Jared; Yamazaki, Takayuki; Yamazaki, Yuji; Yan, Zhen; Yang, Haijun; Yang, Un-Ki; Yang, Yi; Yang, Yi; Yang, Zhaoyu; Yanush, Serguei; Yao, Yushu; Yasu, Yoshiji; Ybeles Smit, Gabriel Valentijn; Ye, Jingbo; Ye, Shuwei; Yilmaz, Metin; Yoosoofmiya, Reza; Yorita, Kohei; Yoshida, Riktura; Young, Charles; Youssef, Saul; Yu, Dantong; Yu, Jaehoon; Yu, Jie; Yuan, Li; Yurkewicz, Adam; Zabinski, Bartlomiej; Zaets, Vassilli; Zaidan, Remi; Zaitsev, Alexander; Zajacova, Zuzana; Zanello, Lucia; Zarzhitsky, Pavel; Zaytsev, Alexander; Zeitnitz, Christian; Zeller, Michael; Zeman, Martin; Zemla, Andrzej; Zendler, Carolin; Zenin, Oleg; Ženiš, Tibor; Zinonos, Zinonas; Zenz, Seth; Zerwas, Dirk; Zevi della Porta, Giovanni; Zhan, Zhichao; Zhang, Dongliang; Zhang, Huaqiao; Zhang, Jinlong; Zhang, Xueyao; Zhang, Zhiqing; Zhao, Long; Zhao, Tianchi; Zhao, Zhengguo; Zhemchugov, Alexey; Zheng, Shuchen; Zhong, Jiahang; Zhou, Bing; Zhou, Ning; Zhou, Yue; Zhu, Cheng Guang; Zhu, Hongbo; Zhu, Junjie; Zhu, Yingchun; Zhuang, Xuai; Zhuravlov, Vadym; Zieminska, Daria; Zimmermann, Robert; Zimmermann, Simone; Zimmermann, Stephanie; Ziolkowski, Michael; Zitoun, Robert; Živković, Lidija; Zmouchko, Viatcheslav; Zobernig, Georg; Zoccoli, Antonio; Zolnierowski, Yves; Zsenei, Andras; zur Nedden, Martin; Zutshi, Vishnu; Zwalinski, Lukasz

2012-01-01

This paper presents a measurement of the ordering of charged hadrons in the azimuthal angle relative to the beam axis in high-energy proton-proton collisions at the Large Hadron Collider (LHC). A spectral analysis of correlations between longitudinal and transverse components of the momentum of the charged hadrons, driven by the search for phenomena related to the structure of the QCD field, is performed. Data were recorded with the ATLAS detector at centre-of-mass energies of $\\sqrt{s}$ = 900 GeV and $\\sqrt{s}$ = 7 TeV. The correlations measured in a phase space region dominated by low-pT particles are not well described by conventional models of hadron production. The measured spectra show features consistent with the fragmentation of a QCD string represented by a helix-like ordered gluon chain.

Multiple orbital angular momentum generated by dielectric hybrid phase element

Science.gov (United States)

Wang, Xuewen; Kuchmizhak, Aleksandr; Hu, Dejiao; Li, Xiangping

2017-09-01

Vortex beam carrying multiple orbital angular momentum provides a new degree of freedom to manipulate light leading to the various exciting applications as trapping, quantum optics, information multiplexing, etc. Helical wavefront can be generated either via the geometric or the dynamic phase arising from a space-variant birefringence (q-plate) or from phase accumulation through propagation (spiral-phase-plate), respectively. Using fast direct laser writing technique we fabricate and characterize novel hybrid q-plate generating vortex beam simultaneously carrying two different high-order topological charges, which arise from the spin-orbital conversion and the azimuthal height variation of the recorded structures. We approve the versatile concept to generate multiple-OAM vortex beams combining the spin-orbital interaction and the phase accumulation in a single micro-scale device, a hybrid dielectric phase plate.

Rapid Estimation Method for State of Charge of Lithium-Ion Battery Based on Fractional Continual Variable Order Model

Directory of Open Access Journals (Sweden)

Xin Lu

2018-03-01

Full Text Available In recent years, the fractional order model has been employed to state of charge (SOC estimation. The non integer differentiation order being expressed as a function of recursive factors defining the fractality of charge distribution on porous electrodes. The battery SOC affects the fractal dimension of charge distribution, therefore the order of the fractional order model varies with the SOC at the same condition. This paper proposes a new method to estimate the SOC. A fractional continuous variable order model is used to characterize the fractal morphology of charge distribution. The order identification results showed that there is a stable monotonic relationship between the fractional order and the SOC after the battery inner electrochemical reaction reaches balanced. This feature makes the proposed model particularly suitable for SOC estimation when the battery is in the resting state. Moreover, a fast iterative method based on the proposed model is introduced for SOC estimation. The experimental results showed that the proposed iterative method can quickly estimate the SOC by several iterations while maintaining high estimation accuracy.

First order and second order fermi acceleration of energetic charged particles by shock waves

International Nuclear Information System (INIS)

Webb, G.M.

1983-01-01

Steady state solutions of the cosmic ray transport equation describing first order Fermi acceleration of energetic charged particles at a plane shock (without losses) and second order Fermi acceleration in the downstream region of the shock are derived. The solutions for the isotropic part of the phase space distribution function are expressible as eigenfunction expansions, being superpositions of series of power law momentum spectra, with the power law indices being the roots of an eigenvalue equation. The above exact analytic solutions are for the case where the spatial diffusion coefficient kappa is independent of momentum. The solutions in general depend on the shock compression ratio, the modulation parameters V 1 L/kappa 1 , V 2 L/kappa 2 (V is the plasma velocity, kappa is the energetic particle diffusion coefficient, and L a characteristic length over which second order Fermi acceleration is effective) in the upstream and downstream regions of the shock, respectively, and also on a further dimensionless parameter, zeta, characterizing second order Fermi acceleration. In the limit as zeta→0 (no second order Fermi acceleration) the power law momentum spectrum characteristic of first order Fermi acceleration (depending only on the shock compression ratio) obtained previously is recovered. Perturbation solutions for the case where second order Fermi effects are small, and for realistic diffusion coefficients (kappainfinityp/sup a/, a>0, p = particle momentum), applicable at high momenta, are also obtained

Impacts of Co-doping on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystal studied by the electrical transport.

Science.gov (United States)

Urata, Takahiro; Tanabe, Yoichi; Heguri, Satoshi; Tanigaki, Katsumi

2015-03-01

In the FeSe with the simplest crystal structure in the Fe-based superconductor families, although both the superconductivity and the orbital ordering states are investigated, the relation between them is still unclear. Here, we report Co doping effects on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystals. The electrical transport measurements demonstrated that the superconductivity vanishes at 4 % Co doping while the orbital ordering state may be robust against Co doping. Present results suggest that the orbital ordering state is not related to the emergence of the superconductivity in FeSe.

A Complete First-Order Analytical Solution for Optimal Low-Thrust Limited-Power Transfers Between Coplanar Orbits with Small Eccentricities

Science.gov (United States)

Da Silva Fernandes, Sandro; Das Chagas Carvalho, Francisco; Vilhena de Moraes, Rodolpho

The purpose of this work is to present a complete first order analytical solution, which includes short periodic terms, for the problem of optimal low-thrust limited power trajectories with large amplitude transfers (no rendezvous) between coplanar orbits with small eccentricities in Newtonian central gravity field. The study of these transfers is particularly interesting because the orbits found in practice often have a small eccentricity and the problem of transferring a vehicle from a low earth orbit to a high earth orbit is frequently found. Besides, the analysis has been motivated by the renewed interest in the use of low-thrust propulsion systems in space missions verified in the last two decades. Several researchers have obtained numerical and sometimes analytical solutions for a number of specific initial orbits and specific thrust profiles. Averaging methods are also used in such researches. Firstly, the optimization problem associated to the space transfer problem is formulated as a Mayer problem of optimal control with Cartesian elements - position and velocity vectors - as state variables. After applying the Pontryagin Maximum Principle, successive Mathieu transformations are performed and suitable sets of orbital elements are introduced. The short periodic terms are eliminated from the maximum Hamiltonian function through an infinitesimal canonical transformation built through Hori method - a perturbation canonical method based on Lie series. The new Hamiltonian function, which results from the infinitesimal canonical transformation, describes the extremal trajectories for long duration maneuvers. Closed-form analytical solutions are obtained for the new canonical system by solving the Hamilton-Jacobi equation through the separation of variables technique. By applying the transformation equations of the algorithm of Hori method, a first order analytical solution for the problem is obtained in non-singular orbital elements. For long duration maneuvers

Paramagnetic fluctuations in Pr0.65Ca0.35MnO3 around the charge-ordering temperature

International Nuclear Information System (INIS)

Daoud-Aladine, A; Roessli, B; Gvasaliya, S N; Perca, C; Pinsard-Gaudart, L; Rodriguez-Carvajal, J; Revcolevschi, A

2006-01-01

We have studied the ferromagnetic and antiferromagnetic fluctuations in the charge-ordered Pr 0.65 Ca 0.35 MnO 3 antiferromagnet by triple-axis neutron spectrometry. Whereas ferromagnetic fluctuations are observed above and below the charge-ordering transition (T CO ), the antiferromagnetic fluctuations develop only below T CO . The dynamical exponent z of both ferromagnetic and antiferromagnetic fluctuations are determined. The ferromagnetic fluctuations are not completely suppressed below T CO and their correlation lengths are short-ranged at all temperatures. The results are discussed with respect to the Zener polaron model recently introduced to describe the charge-ordered state of Pr 0.6 Ca 0.40 MnO 3

Real-space calculations of nonspherically averaged charge densities for substitutionally disordered alloys

International Nuclear Information System (INIS)

Singh, P.P.; Gonis, A.

1993-01-01

Based on screening transformations of muffin-tin orbitals introduced by Andersen and Jepsen [Phys. Rev. Lett. 53, 2571 (1984)], we have developed a formalism for calculating the nonspherically averaged charge densities of substitutionally disordered alloys using the Korringa-Kohn-Rostoker coherent-potential-approximation (KKR CPA) method in the atomic-sphere approximation (ASA). We have validated our method by calculating charge densities for ordered structures, where we find that our approach yields charge densities that are essentially indistinguishable from the results of full-potential methods. Calculations and comparisons are reported for Si, Al, and Li. For substitutionally disordered alloys, where full-potential methods have not been implemented so far, our approach can be used to calculate reliable nonspherically averaged charge densities from spherically symmetric one-electron potentials obtained from the KKR-ASA CPA. We report on our study of differences in charge density between ordered AlLi in the L1 0 phase and substitutionally disordered Al 0.5 Li 0.5 on a face-centered-cubic lattice

Robustness of the charge-ordered phases in IrTe2 against photoexcitation

Science.gov (United States)

Monney, C.; Schuler, A.; Jaouen, T.; Mottas, M.-L.; Wolf, Th.; Merz, M.; Muntwiler, M.; Castiglioni, L.; Aebi, P.; Weber, F.; Hengsberger, M.

2018-02-01

We present a time-resolved angle-resolved photoelectron spectroscopy study of IrTe2, which undergoes two first-order structural and charge-ordered phase transitions on cooling below 270 K and below 180 K. The possibility of inducing a phase transition by photoexcitation with near-infrared femtosecond pulses is investigated in the charge-ordered phases. We observe changes of the spectral function occurring within a few hundreds of femtoseconds and persisting up to several picoseconds, which we interpret as a partial photoinduced phase transition (PIPT). The necessary time for photoinducing these spectral changes increases with increasing photoexcitation density and reaches time scales longer than the rise time of the transient electronic temperature. We conclude that the PIPT is driven by a transient increase of the lattice temperature following the energy transfer from the electrons. However, the photoinduced changes of the spectral function are small, which indicates that the low-temperature phase is particularly robust against photoexcitation. We suggest that the system might be trapped in an out-of-equilibrium state, for which only a partial structural transition is achieved.

Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} under the influence of ac electric field

Energy Technology Data Exchange (ETDEWEB)

Sarwar, T., E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); Qamar, A., E-mail: afzaal.qamar@griffithuni.edu.au [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, M. [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

2017-07-15

Highlights: • Electronic & magnetic behavior of Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} is explored using impedance spectroscopy. • Under ac field, possible signature of suppression of robust CO/OO antiferromagnetism is studied. • We propose the existence of spin glass state at low temperature. • A novel tactic is used to estimate the existence of weak ferromagnetism at high temperature. - Abstract: Dynamics of spin ordering in the manganite Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (T{sub N}) and complete charge ordering at 250 K (T{sub CO}). Under ac field, appearance of unstable ferromagnetic correlations is observed above T{sub CO}, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below T{sub N}.

Superconductivity and spin excitations in orbitally ordered FeSe

Science.gov (United States)

Kreisel, Andreas; Mukherjee, Shantanu; Hirschfeld, P. J.; Andersen, B. M.

We provide a band-structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on the Fe-based superconductor FeSe, including a mean-field like orbital ordering in the dxz /dyz channel, and show that this model also accounts for the temperature dependence of the measured Knight shift and the spin-relaxation rate. An RPA calculation of the dynamical spin susceptibility yields spin excitations which are peaked at wave vector (π , 0) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the 'V'-shaped density of states measured by tunneling spectroscopy on this material. The redistribution of spectral weight in the superconducting state creates a (π , 0) ''neutron resonance'' as seen in recent experiments. Comparing to various experimental results, we give predictions for further studies A.K. and B.M.A. acknowledge financial support from a Lundbeckfond fellowship (Grant No. A9318). P.J.H. was partially supported by the Department of Energy under Grant No. DE-FG02-05ER46236.

Tunable spin-charge conversion through topological phase transitions in zigzag nanoribbons

KAUST Repository

Li, Hang

2016-06-29

We study spin-orbit torques and charge pumping in magnetic quasi-one-dimensional zigzag nanoribbons with a hexagonal lattice, in the presence of large intrinsic spin-orbit coupling. Such a system experiences a topological phase transition from a trivial band insulator to a quantum spin Hall insulator by tuning of either the magnetization direction or the intrinsic spin-orbit coupling. We find that the spin-charge conversion efficiency (i.e., spin-orbit torque and charge pumping) is dramatically enhanced at the topological transition, displaying a substantial angular anisotropy.

Tunable spin-charge conversion through topological phase transitions in zigzag nanoribbons

KAUST Repository

Li, Hang; Manchon, Aurelien

2016-01-01

We study spin-orbit torques and charge pumping in magnetic quasi-one-dimensional zigzag nanoribbons with a hexagonal lattice, in the presence of large intrinsic spin-orbit coupling. Such a system experiences a topological phase transition from a trivial band insulator to a quantum spin Hall insulator by tuning of either the magnetization direction or the intrinsic spin-orbit coupling. We find that the spin-charge conversion efficiency (i.e., spin-orbit torque and charge pumping) is dramatically enhanced at the topological transition, displaying a substantial angular anisotropy.

Optimization of the Orbiting Wide-Angle Light Collectors (OWL) Mission for Charged-Particle and Neutrino Astronomy

Science.gov (United States)

Krizmanic, John F.; Mitchell, John W.; Streitmatter, Robert E.

2013-01-01

OWL [1] uses the Earth's atmosphere as a vast calorimeter to fully enable the emerging field of charged-particle astronomy with high-statistics measurements of ultra-high-energy cosmic rays (UHECR) and a search for sources of UHE neutrinos and photons. Confirmation of the Greisen-Zatsepin-Kuzmin (GZK) suppression above approx. 4 x 10(exp 19) eV suggests that most UHECR originate in astrophysical objects. Higher energy particles must come from sources within about 100 Mpc and are deflected by approx. 1 degree by predicted intergalactic/galactic magnetic fields. The Pierre Auger Array, Telescope Array and the future JEM-EUSO ISS mission will open charged-particle astronomy, but much greater exposure will be required to fully identify and measure the spectra of individual sources. OWL uses two large telescopes with 3 m optical apertures and 45 degree FOV in near-equatorial orbits. Simulations of a five-year OWL mission indicate approx. 10(exp 6) sq km/ sr/ yr of exposure with full aperture at approx. 6 x 10(exp 19) eV. Observations at different altitudes and spacecraft separations optimize sensitivity to UHECRs and neutrinos. OWL's stereo event reconstruction is nearly independent of track inclination and very tolerant of atmospheric conditions. An optional monocular mode gives increased reliability and can increase the instantaneous aperture. OWL can fully reconstruct horizontal and upward-moving showers and so has high sensitivity to UHE neutrinos. New capabilities in inflatable structures optics and silicon photomultipliers can greatly increase photon sensitivity, reducing the energy threshold for n detection or increasing viewed area using a higher orbit. Design trades between the original and optimized OWL missions and the enhanced science capabilities are described.

139La and 63Cu NMR investigation of charge order in La2CuO4 +y (Tc=42 K)

Science.gov (United States)

Imai, T.; Lee, Y. S.

2018-03-01

We report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La2CuO4 +y single crystal with stage-4 excess oxygen order at Tstage≃290 K. We show that the stage-4 order induces tilting of CuO6 octahedra below Tstage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at Tcharge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La1.88Sr0.12CuO4 that sets in once the low-temperature tetragonal phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below Tcharge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO2 planes. This indicates that charge order in La2CuO4 +y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at Tspin(≃Tc ) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La1.885Sr0.115CuO4 [Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508 and Arsenault et al., Phys. Rev. B 97, 064511 (2018), 10.1103/PhysRevB.97.064511], but both charge and spin order take place more sharply in the present case.

Magnonic charge pumping via spin-orbit coupling

Czech Academy of Sciences Publication Activity Database

Ciccarelli, C.; Hals, K.M.D.; Irvine, A.; Novák, Vít; Tserkovnyak, Y.; Kurebayashi, H.; Brataas, A.; Ferguson, A.

2015-01-01

Roč. 10, č. 1 (2015), 50-54 ISSN 1748-3387 R&D Projects: GA MŠk(CZ) LM2011026 Institutional support: RVO:68378271 Keywords : spintronics * spin-orbit torque * GaMnAs Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 35.267, year: 2015

Orbits

CERN Document Server

Xu, Guochang

2008-01-01

This is the first book of the satellite era which describes orbit theory with analytical solutions of the second order with respect to all possible disturbances. Based on such theory, the algorithms of orbits determination are completely revolutionized.

Pressure-induced charge ordering of LiV2O4

International Nuclear Information System (INIS)

Takeda, K.; Hidaka, H.; Kotegawa, H.; Kobayashi, T.C.; Shimizu, K.; Harima, H.; Fujiwara, K.; Miyoshi, K.; Takeuchi, J.; Ohishi, Y.; Adachi, T.; Takata, M.; Nishibori, E.; Sakata, M.; Watanuki, T.; Shimomura, O.

2005-01-01

The powder X-ray diffraction experiments of LiV 2 O 4 have been performed at low temperature and high pressure using synchrotron radiation. In the isothermal experiment at 10K, the cubic-rhombohedral phase transition corresponding to the metal-insulator transition is found at around 13GPa. This transition seems to be due to charge ordering of V ions on the analogy of the metal-insulator transition in AlV 2 O 4

Active Radiation Detectors for Use in Space Beyond Low Earth Orbit: Spatial and Energy Resolution Requirements and Methods for Heavy Ion Charge Classification

Science.gov (United States)

McBeth, Rafe A.

Space radiation exposure to astronauts will need to be carefully monitored on future missions beyond low earth orbit. NASA has proposed an updated radiation risk framework that takes into account a significant amount of radiobiological and heavy ion track structure information. These models require active radiation detection systems to measure the energy and ion charge Z. However, current radiation detection systems cannot meet these demands. The aim of this study was to investigate several topics that will help next generation detection systems meet the NASA objectives. Specifically, this work investigates the required spatial resolution to avoid coincident events in a detector, the effects of energy straggling and conversion of dose from silicon to water, and methods for ion identification (Z) using machine learning. The main results of this dissertation are as follows: 1. Spatial resolution on the order of 0.1 cm is required for active space radiation detectors to have high confidence in identifying individual particles, i.e., to eliminate coincident events. 2. Energy resolution of a detector system will be limited by energy straggling effects and the conversion of dose in silicon to dose in biological tissue (water). 3. Machine learning methods show strong promise for identification of ion charge (Z) with simple detector designs.

The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

Science.gov (United States)

Kar, J. K.; Panda, Saswati; Rout, G. C.

2017-05-01

We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

Economic analysis requirements in support of orbital debris regulatory policy

Science.gov (United States)

Greenberg, Joel S.

1996-10-01

As the number of Earth orbiting objects increases so does the potential for generating orbital debris with the consequent increase in the likelihood of impacting and damaging operating satellites. Various debris remediation approaches are being considered that encompass both in-orbit and return-to-Earth schema and have varying degrees of operations, cost, international competitiveness, and safety implications. Because of the diversity of issues, concerns and long-term impacts, there is a clear need for the setting of government policies that will lead to an orderly abatement of the potential orbital debris hazards. These policies may require the establishment of a supportive regulatory regime. The Department of Transportation is likely to have regulatory responsibilities relating to orbital debris stemming from its charge to protect the public health and safety, safety of property, and national security interests and foreign policy interests of the United States. This paper describes DOT's potential regulatory role relating to orbital debris remediation, the myriad of issues concerning the need for establishing government policies relating to orbital debris remediation and their regulatory implications, the proposed technological solutions and their economic and safety implications. Particular emphasis is placed upon addressing cost-effectiveness and economic analyses as they relate to economic impact analysis in support of regulatory impact analysis.

Accelerated testing for synchronous orbits

Science.gov (United States)

Mcdermott, P.

1981-01-01

Degradation of batteries during synchronous orbits is analyzed. Discharge and recharge rates are evaluated. The functional relationship between charge rate and degradation is mathematically determined.

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

Science.gov (United States)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-04-01

We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the R1 -xCaxVO3 perovskites, where R = La, ⋯, Lu. A fundamental characteristic of these vanadium d2 compounds with partly filled t2 g valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-Tc cuprates at low defect concentration. We study the disordered electronic structure of such doped Mott-Hubbard insulators within the unrestricted Hartree-Fock approximation and, as a result, manage to explain the spectral features that occur in photoemission and inverse photoemission. In particular, (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are qualitatively well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect-states gap, which separates the highest occupied from the lowest unoccupied states, can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. These parameters provide a criterion and a comprehensive schematization for the insulator-metal transition in disordered systems. Our results provide clear indications that doped holes are bound to charged defects and form small spin-orbital polarons whose internal kinetic energy is responsible for the opening of the soft defect-states gap. We show that this kinetic gap survives disorder fluctuations of defects and is amplified by the long-range electron-electron interactions, whereas we observe a Coulomb singularity in the atomic limit. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio and by

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

Science.gov (United States)

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

2018-03-01

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

Non-singlet coefficient functions for charged-current deep-inelastic scattering to the third order in QCD

International Nuclear Information System (INIS)

Davies, J.; Vogt, A.

2016-06-01

We have calculated the coefficient functions for the structure functions F_2, F_L and F_3 in ν- anti ν charged-current deep-inelastic scattering (DIS) at the third order in the strong coupling α_s, thus completing the description of unpolarized inclusive W"±-exchange DIS to this order of massless perturbative QCD. In this brief note, our new results are presented in terms of compact approximate expressions that are sufficiently accurate for phenomenological analyses. For the benefit of such analyses we also collect, in a unified notation, the corresponding lower-order contributions and the flavour non-singlet coefficient functions for ν+ anti ν charged-current DIS. The behaviour of all six third-order coefficient functions at small Bjorken-x is briefly discussed.

Preliminary study of the charged particle radiaton for th satellite power system

International Nuclear Information System (INIS)

Stassinopoulos, E.G.

1978-01-01

A preliminary radiation study was performed for the SPS project in order to determine the energetic charged particle environment for the three major phases of an SPS mission: the low earth orbit (LEO), the transfer ellipse (TE), and the synchronous geostationary trajectory (GEO). For that purpose, extensive calculations were performed and a large data base was generated, processeed, and analyzed. The external (surface incident) charged particle intensities, predicted for the SPS in each mission phase, were determined by orbital flux integration from the latest environment models. Magnetic field definitions for the three trajectories were obtained from a current field model. Spatial and temporal variations or conditions were considered and accounted for, where possible. Limited shielding and dose evaluations were performed for a simple geometry. The results of this analysis are presented in tabular and graphical form

Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Helmich-Paris, Benjamin, E-mail: b.helmichparis@vu.nl; Visscher, Lucas, E-mail: l.visscher@vu.nl [Section of Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Repisky, Michal, E-mail: michal.repisky@uit.no [CTCC, Department of Chemistry, UIT The Arctic University of Norway, N-9037 Tromø (Norway)

2016-07-07

We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

International Nuclear Information System (INIS)

Helmich-Paris, Benjamin; Visscher, Lucas; Repisky, Michal

2016-01-01

We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

Orbital angular momentum mode of Gaussian beam induced by atmospheric turbulence

Science.gov (United States)

Cheng, Mingjian; Guo, Lixin; Li, Jiangting; Yan, Xu; Dong, Kangjun

2018-02-01

Superposition theory of the spiral harmonics is employed to numerical study the transmission property of the orbital angular momentum (OAM) mode of Gaussian beam induced by atmospheric turbulence. Results show that Gauss beam does not carry OAM at the source, but various OAM modes appear after affected by atmospheric turbulence. With the increase of atmospheric turbulence strength, the smaller order OAM modes appear firstly, followed by larger order OAM modes. The beam spreading of Gauss beams in the atmosphere enhance with the increasing topological charge of the OAM modes caused by atmospheric turbulence. The mode probability density of the OAM generated by atmospheric turbulence decreases, and peak position gradually deviate from the Gauss beam spot center with the increase of the topological charge. Our results may be useful for improving the performance of long distance laser digital spiral imaging system.

Orbital order and effective mass enhancement in t2 g two-dimensional electron gases

Science.gov (United States)

Tolsma, John; Principi, Alessandro; Polini, Marco; MacDonald, Allan

2015-03-01

It is now possible to prepare d-electron two-dimensional electron gas systems that are confined near oxide heterojunctions and contain t2 g electrons with a density much smaller than one electron per metal atom. I will discuss a generic model that captures all qualitative features of electron-electron interaction physics in t2 g two-dimensional electron gas systems, and the use of a GW approximation to explore t2 g quasiparticle properties in this new context. t2 g electron gases contain a high density isotropic light mass xy component and low-density xz and yz anisotropic components with light and heavy masses in orthogonal directions. The high density light mass band screens interactions within the heavy bands. As a result the wave vector dependence of the self-energy is reduced and the effective mass is increased. When the density in the heavy bands is low, the difference in anisotropy between the two heavy bands favors orbital order. When orbital order does not occur, interactions still reshape the heavy-band Fermi surfaces. I will discuss these results in the context of recently reported magnetotransport experiments.

Band dependence of charge density wave in quasi-one-dimensional Ta2NiSe7 probed by orbital magnetoresistance

Science.gov (United States)

He, Jiaming; Zhang, Yiran; Wen, Libin; Yang, Yusen; Liu, Jinyu; Wu, Yueshen; Lian, Hailong; Xing, Hui; Wang, Shun; Mao, Zhiqiang; Liu, Ying

2017-07-01

Ta2NiSe7 is a quasi-one-dimensional (quasi-1D) transition-metal chalcogenide with Ta and Ni chain structures. An incommensurate charge-density wave (CDW) in this quasi-1D structure was well studied previously using tunnelling spectrum, X-ray, and electron diffraction, whereas its transport property and the relation to the underlying electronic states remain to be explored. Here, we report our results of the magnetoresistance (MR) on Ta2NiSe7. A breakdown of Kohler's rule is found upon entering the CDW state. Concomitantly, a clear change in curvature in the field dependence of MR is observed. We show that the curvature change is well described by the two-band orbital MR, with the hole density being strongly suppressed in the CDW state, indicating that the p orbitals from Se atoms dominate the change in transport through CDW transition.

Investigation of magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures

Science.gov (United States)

Das, Kalipada

2017-10-01

In our present study, we address in detail the magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures. In these core-shell nanostructures, well-known half metallic La0.67Sr0.33MnO3 nanoparticles (average particle size, ˜20 nm) are wrapped by the charge ordered antiferromagnetic Pr0.67Ca0.33MnO3 (PCMO) matrix. The intrinsic properties of PCMO markedly modify it into such a core-shell form. The robustness of the PCMO matrix becomes fragile and melts at an external magnetic field (H) of ˜20 kOe. The analysis of magneto-transport data indicates the systematic reduction of the electron-electron and electron-magnon interactions in the presence of an external magnetic field in these nanostructures. The pronounced training effect appears in this phase separated compound, which was analyzed by considering the second order tunneling through the grain boundaries of the nanostructures. Additionally, the analysis of low field magnetoconductance data supports the second order tunneling and shows the close value of the universal limit (˜1.33).

Revisiting 63Cu NMR evidence for charge order in superconducting La1.885Sr0.115CuO4

Science.gov (United States)

Imai, T.; Takahashi, S. K.; Arsenault, A.; Acton, A. W.; Lee, D.; He, W.; Lee, Y. S.; Fujita, M.

2017-12-01

The presence of charge and spin stripe order in the La2CuO4 -based family of superconductors continues to lead to new insight on the unusual ground-state properties of high-Tc cuprates. Soon after the discovery of charge stripe order at Tcharge≃65 K in Nd3 + co-doped La1.48Nd0.4Sr0.12CuO4 (Tc≃6 K) [Tranquada et al., Nature (London) 375, 561 (1995), 10.1038/375561a0], Hunt et al. demonstrated that La1.48Nd0.4Sr0.12CuO4 and superconducting La2 -xSrxCuO4 with x ˜1 /8 (Tc≃30 K) share nearly identical NMR anomalies near Tcharge of the former [Phys. Rev. Lett. 82, 4300 (1999), 10.1103/PhysRevLett.82.4300]. Their inevitable conclusion that La1.885Sr0.115CuO4 also undergoes charge order at a comparable temperature became controversial, because diffraction measurements at the time were unable to detect Bragg peaks associated with charge order. Recent advances in x-ray diffraction techniques finally led to definitive confirmations of the charge order Bragg peaks in La1.885Sr0.115CuO4 with an onset at as high as Tcharge≃80 K. Meanwhile, improved instrumental technology has enabled routine NMR measurements that were not feasible two decades ago. Motivated by these new developments, we revisit the charge order transition of a La1.885Sr0.115CuO4 single crystal based on 63Cu NMR techniques. We demonstrate that 63Cu NMR properties of the nuclear spin Iz=-1/2 to +1/2 central transition below Tcharge exhibit unprecedentedly strong dependence on the measurement time scale set by the separation time τ between the 90∘ and 180∘ radio-frequency pulses; a new kind of anomalous, very broad winglike 63Cu NMR signals gradually emerge below Tcharge only for extremely short τ ≲4 μ s , while the spectral weight INormal of the normal NMR signals is progressively wiped out. The NMR linewidth and relaxation rates depend strongly on τ below Tcharge, and their enhancement in the charge ordered state indicates that charge order turns on strong but inhomogeneous growth of Cu spin

Quantum Key Distribution with High Order Fibonacci-like Orbital Angular Momentum States

Science.gov (United States)

Pan, Ziwen; Cai, Jiarui; Wang, Chuan

2017-08-01

The coding space in quantum communication could be expanded to high-dimensional space by using orbital angular momentum (OAM) states of photons, as both the capacity of the channel and security are enhanced. Here we present a novel approach to realize high-capacity quantum key distribution (QKD) by exploiting OAM states. The innovation of the proposed approach relies on a unique type of entangled-photon source which produces entangled photons with OAM randomly distributed among high order Fiboncci-like numbers and a new physical mechanism for efficiently sharing keys. This combination of entanglement with mathematical properties of high order Fibonacci sequences provides the QKD protocol immunity to photon-number-splitting attacks and allows secure generation of long keys from few photons. Unlike other protocols, reference frame alignment and active modulation of production and detection bases are unnecessary.

Twinning microstructure and charge ordering in the colossal magnetoresistive manganite Nd1/2Sr1/2MnO3

International Nuclear Information System (INIS)

Luo, Z.P.; Miller, D.J.; Mitchell, J.F.

2000-01-01

Charge ordering (C.O.) in the colossal magnetoresistive (CMR) manganites gives rise to an insulating, high-resistance state. This charge ordered state can be melted into a low-resistance metallic-like state by the application of magnetic field. Thus, the potential to attain high values of magnetoresistance with the application of small magnetic fields may be aided by a better understanding of the charge-ordering phenomenon. This study focused on microstructural characterization in Nd 1/2 Sr 1/2 MnO 3 . In Nd 1/2 Sr 1/2 MnO 3 , the nominal valence of Mn is 3.5+. On cooling, charge can localize and lead to a charge ordering between Mn 3+ and Mn 4+. The ordering of charge results in a superlattice structure and a reduction in symmetry. Thin foil specimens were prepared from bulk samples by conventional thinning and ion milling (at LiqN 2 temperature) methods. The room temperature TEM observation of Nd 1/2 Sr 1/2 MnO 3 reveals that it contains a highly twinned microstructure, together with a small number of stacking faults (SFS). A figure shows the same area of the specimen at different zone axes obtained by tilting around two perpendicular directions as indicated. Three grains A, B and C are labeled for each of the zone axes. The room temperature EDPs from the matrix and twins shows an approximate 90degree rotation suggesting a 90degree twin orientation. These results are further confirmed by C.O. at low temperatures. The twinning planes can be determined by tilting with large angles

Charge dynamics of the antiferromagnetically ordered Mott insulator

International Nuclear Information System (INIS)

Han, Xing-Jie; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xiang, Tao; Liu, Yu; Liu, Zhi-Yuan; Xie, Zhi-Yuan; Normand, B

2016-01-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon–doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon–doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott–Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of

Charge dynamics of the antiferromagnetically ordered Mott insulator

Science.gov (United States)

Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao

2016-10-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the

Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

KAUST Repository

Shi, Dong

2016-04-15

We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.

Chaos in Time-Dependent Space-Charge Potentials

CERN Document Server

Betzel, Gregory T; Sideris, Ioannis V

2005-01-01

We consider a spherically symmetric, homologously breathing, space-charge-dominated beam bunch in the spirit of the particle-core model. The question we ask is: How does the time dependence influence the population of chaotic orbits? The static beam has zero chaotic orbits; the equation of particle motion is integrable up to quadrature. This is generally not true once the bunch is set into oscillation. We quantify the population of chaotic orbits as a function of space charge and oscillation amplitude (mismatch). We also apply a newly developed measure of chaos, one that distinguishes between regular, sticky, and wildly chaotic orbits, to characterize the phase space in detail. We then introduce colored noise into the system and show how its presence modifies the dynamics. One finding is that, despite the presence of a sizeable population of chaotic orbits, halo formation in the homologously breathing beam is much less prevalent than in an envelope-matched counterpart wherein an internal collective mode is ex...

Spacecraft Charging and the Microwave Anisotropy Probe Spacecraft

Science.gov (United States)

Timothy, VanSant J.; Neergaard, Linda F.

1998-01-01

The Microwave Anisotropy Probe (MAP), a MIDEX mission built in partnership between Princeton University and the NASA Goddard Space Flight Center (GSFC), will study the cosmic microwave background. It will be inserted into a highly elliptical earth orbit for several weeks and then use a lunar gravity assist to orbit around the second Lagrangian point (L2), 1.5 million kilometers, anti-sunward from the earth. The charging environment for the phasing loops and at L2 was evaluated. There is a limited set of data for L2; the GEOTAIL spacecraft measured relatively low spacecraft potentials (approx. 50 V maximum) near L2. The main area of concern for charging on the MAP spacecraft is the well-established threat posed by the "geosynchronous region" between 6-10 Re. The launch in the autumn of 2000 will coincide with the falling of the solar maximum, a period when the likelihood of a substorm is higher than usual. The likelihood of a substorm at that time has been roughly estimated to be on the order of 20% for a typical MAP mission profile. Because of the possibility of spacecraft charging, a requirement for conductive spacecraft surfaces was established early in the program. Subsequent NASCAP/GEO analyses for the MAP spacecraft demonstrated that a significant portion of the sunlit surface (solar cell cover glass and sunshade) could have nonconductive surfaces without significantly raising differential charging. The need for conductive materials on surfaces continually in eclipse has also been reinforced by NASCAP analyses.

Orbiting binary black hole evolutions with a multipatch high order finite-difference approach

International Nuclear Information System (INIS)

Pazos, Enrique; Tiglio, Manuel; Duez, Matthew D.; Kidder, Lawrence E.; Teukolsky, Saul A.

2009-01-01

We present numerical simulations of orbiting black holes for around 12 cycles, using a high order multipatch approach. Unlike some other approaches, the computational speed scales almost perfectly for thousands of processors. Multipatch methods are an alternative to adaptive mesh refinement, with benefits of simplicity and better scaling for improving the resolution in the wave zone. The results presented here pave the way for multipatch evolutions of black hole-neutron star and neutron star-neutron star binaries, where high resolution grids are needed to resolve details of the matter flow.

Titan Orbiter Aerorover Mission

Science.gov (United States)

Sittler Jr., E. C.; Acuna, M.; Burchell, M. J.; Coates, A.; Farrell, W.; Flasar, M.; Goldstein, B. E.; Gorevan, S.; Hartle, R. E.; Johnson, W. T. K.

2001-01-01

We propose a combined Titan orbiter and Titan Aerorover mission with an emphasis on both in situ and remote sensing measurements of Titan's surface, atmosphere, ionosphere, and magnetospheric interaction. The biological aspect of the Titan environment will be emphasized by the mission (i.e., search for organic materials which may include simple organics to 'amono' analogues of amino acids and possibly more complex, lightening detection and infrared, ultraviolet, and charged particle interactions with Titan's surface and atmosphere). An international mission is assumed to control costs. NASA will provide the orbiter, launch vehicle, DSN coverage and operations, while international partners will provide the Aerorover and up to 30% of the cost for the scientific instruments through collaborative efforts. To further reduce costs we propose a single PI for orbiter science instruments and a single PI for Aerorover science instruments. This approach will provide single command/data and power interface between spacecraft and orbiter instruments that will have redundant central DPU and power converter for their instruments. A similar approach could be used for the Aerorover. The mission profile will be constructed to minimize conflicts between Aerorover science, orbiter radar science, orbiter radio science, orbiter imaging science, and orbiter fields and particles (FP) science. Additional information is contained in the original extended abstract.

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

Science.gov (United States)

Porchelvi, E. Elamurugu; Muthu, S.

2015-01-01

The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).

Devil's staircase of odd-number charge order modulations in divalent β -vanadium bronzes under pressure

Science.gov (United States)

Yamauchi, Touru; Ueda, Hiroaki; Ohwada, Kenji; Nakao, Hironori; Ueda, Yutaka

2018-03-01

A common characteristic of quasi-one-dimensional (q1D) conductors β -A0.33V2O5 (A = Li, Na, and Ag) is that the charge ordering (CO), the ground state (GS) at ambient pressure, and the superconducting (SC) phases, the GS under high pressure, are competing with each other. We have explored high-pressure properties of divalent β -vanadium bronzes, β -A0.33V2O5 (A = Ca, Sr, and Pb), which are A -cation stoichiometry finely controlled single-crystal/powder samples, and found the absence of the SC phase. In these observations, however, we observed enormous and novel phase transitions, a kind of "devil's staircase"-type phase transitions in the charge ordering (CO) phases. The most surprising discovery in this devil's staircase, which was found mainly in β -Sr0.33V2O5 , is that all the charge modulation vectors of many kinds of CO phases can be represented as a primitive lattice translation vector along the b axis multiplied by several odd numbers. This discovery surely demonstrates interplay between the charge degree freedom and the crystallographic symmetry. We propose two possible mechanisms to explain this phenomenon: "self-charge transfer (carrier redistribution)" between the two subsystems in these compounds and "sequential symmetry reduction" that was discussed in Landau theory of phase transitions. In β -Ca0.33V2O5 we also found a P -T phase diagram similar in outlook but different in detail. The devil's staircase was also observed but it is an incomplete one. Furthermore, the charge modulation vectors in it are shorter than those in β -Sr0.33V2O5 . In β -Pb0.33V2O5 , which has no CO phase at ambient pressure, the pressure-induced antiferromagnetic ordering was observed at around 50 K above 0.5 GPa. Using these two kinds of mechanisms, we also explain the global high-pressure properties in all the stoichiometric divalent β -vanadium bronzes, which were observed as a wide variety of electromagnetic states. In addition, we also discuss a possible key for

Dynamics of High-Order Spin-Orbit Couplings about Linear Momenta in Compact Binary Systems*

International Nuclear Information System (INIS)

Huang Li; Wu Xin; Huang Guo-Qing; Mei Li-Jie

2017-01-01

This paper relates to the post-Newtonian Hamiltonian dynamics of spinning compact binaries, consisting of the Newtonian Kepler problem and the leading, next-to-leading and next-to-next-to-leading order spin-orbit couplings as linear functions of spins and momenta. When this Hamiltonian form is transformed to a Lagrangian form, besides the terms corresponding to the same order terms in the Hamiltonian, several additional terms, third post-Newtonian (3PN), 4PN, 5PN, 6PN and 7PN order spin-spin coupling terms, yield in the Lagrangian. That means that the Hamiltonian is nonequivalent to the Lagrangian at the same PN order but is exactly equivalent to the full Lagrangian without any truncations. The full Lagrangian without the spin-spin couplings truncated is integrable and regular. Whereas it is non-integrable and becomes possibly chaotic when any one of the spin-spin terms is dropped. These results are also supported numerically. (paper)

Reactivity index based on orbital energies.

Science.gov (United States)

Tsuneda, Takao; Singh, Raman K

2014-05-30

This study shows that the chemical reactivities depend on the orbital energy gaps contributing to the reactions. In the process where a reaction only makes progress through charge transfer with the minimal structural transformation of the reactant, the orbital energy gap gradient (OEGG) between the electron-donating and electron-accepting orbitals is proven to be very low. Using this relation, a normalized reaction diagram is constructed by plotting the normalized orbital energy gap with respect to the normalized intrinsic reaction coordinate. Application of this reaction diagram to 43 fundamental reactions showed that the majority of the forward reactions provide small OEGGs in the initial stages, and therefore, the initial processes of the forward reactions are supposed to proceed only through charge transfer. Conversely, more than 60% of the backward reactions are found to give large OEGGs implying very slow reactions associated with considerable structural transformations. Focusing on the anti-activation-energy reactions, in which the forward reactions have higher barriers than those of the backward ones, most of these reactions are shown to give large OEGGs for the backward reactions. It is also found that the reactions providing large OEGGs in the forward directions inconsistent with the reaction rate constants are classified into SN 2, symmetric, and methyl radical reactions. Interestingly, several large-OEGG reactions are experimentally established to get around the optimum pathways. This indicates that the reactions can take significantly different pathways from the optimum ones provided no charge transfer proceeds spontaneously without the structural transformations of the reactants. Copyright © 2014 Wiley Periodicals, Inc.

Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

Science.gov (United States)

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

2016-01-01

Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.

Science.gov (United States)

Hoffmann, Mark R; Helgaker, Trygve

2015-03-05

A new variation of the second-order generalized van Vleck perturbation theory (GVVPT2) for molecular electronic structure is suggested. In contrast to the established procedure, in which CASSCF or MCSCF orbitals are first obtained and subsequently used to define a many-electron model (or reference) space, the use of an orbital space obtained from the local density approximation (LDA) variant of density functional theory is considered. Through a final, noniterative diagonalization of an average Fock matrix within orbital subspaces, quasicanonical orbitals that are otherwise indistinguishable from quasicanonical orbitals obtained from a CASSCF or MCSCF calculation are obtained. Consequently, all advantages of the GVVPT2 method are retained, including use of macroconfigurations to define incomplete active spaces and rigorous avoidance of intruder states. The suggested variant is vetted on three well-known model problems: the symmetric stretching of the O-H bonds in water, the dissociation of N2, and the stretching of ground and excited states C2 to more than twice the equilibrium bond length of the ground state. It is observed that the LDA-based GVVPT2 calculations yield good results, of comparable quality to conventional CASSCF-based calculations. This is true even for the C2 model problem, in which the orbital space for each state was defined by the LDA orbitals. These results suggest that GVVPT2 can be applied to much larger problems than previously accessible.

Resonant x-ray scattering in manganites: study of the orbital degree of freedom

International Nuclear Information System (INIS)

Ishihara, Sumio; Maekawa, Sadamichi

2002-01-01

The orbital degree of freedom of electrons and its interplay with spin, charge and lattice degrees of freedom are some of the central issues in colossal magnetoresistive manganites. The orbital degree of freedom has until recently remained hidden, since it does not couple directly to most experimental probes. Development of synchrotron light sources has changed the situation; by the resonant x-ray scattering (RXS) technique the orbital ordering has successfully been observed. In this article, we review progress in the recent studies of RXS in manganites. We start with a detailed review of the RXS experiments applied to the orbital-ordered manganites and other correlated electron systems. We derive the scattering cross section of RXS, where the tensor character of the atomic scattering factor (ASF) with respect to the x-ray polarization is stressed. Microscopic mechanisms of the anisotropic tensor character of the ASF are introduced and numerical results of the ASF and the scattering intensity are presented. The azimuthal angle scan is a unique experimental method to identify RXS from the orbital degree of freedom. A theory of the azimuthal angle and polarization dependence of the RXS intensity is presented. The theoretical results show good agreement with the experiments in manganites. Apart from the microscopic description of the ASF, a theoretical framework of RXS to relate directly to the 3d orbital is presented. The scattering cross section is represented by the correlation function of the pseudo-spin operator for the orbital degree of freedom. A theory is extended to the resonant inelastic x-ray scattering and methods to observe excitations of the orbital degree of freedom are proposed. (author)

Coulomb crystallites from harmonically confined charged bosons in two dimensions

International Nuclear Information System (INIS)

Mese, A I; Okan, S E; Capuzzi, P; Akdeniz, Z; Tosi, M P

2008-01-01

We exploit rotational-symmetry breaking in the one-body density to examine the formation of structures in systems of N strongly coupled charged bosons with logarithmic repulsions inside isotropic two-dimensional harmonic traps, with N in the range from 2 to 7. The results serve as a map for ordered arrangements of vortices in a trapped Bose-Einstein condensate. Two types of N-body wavefunctions are assumed: (i) a permanent |ψ WM > of N identical Gaussian orbitals centred at variationally determined sites, and (ii) a permanent |ψ SM > of N orthogonal orbitals built from harmonic-oscillator energy eigenstates. With increasing coupling strength, the bosons in the |ψ WM > orbitals localize into polygonal-ringlike crystalline patterns ('Wigner molecules'), whereas the wavefunctions |ψ SM / describe low energy excited states containing delocalized bosons as in supersolid crystallites ('supermolecules'). For N = 2 at strong coupling both states describe a Wigner dimer

Charged Coupled Device Debris Telescope Observations of the Geosynchronous Orbital Debris Environment - Observing Year: 1998

Science.gov (United States)

Jarvis, K. S.; Thumm, T. L.; Matney, M. J.; Jorgensen, K.; Stansbery, E. G.; Africano, J. L.; Sydney, P. F.; Mulrooney, M. K.

2002-01-01

NASA has been using the charged coupled device (CCD) debris telescope (CDT)--a transportable 32-cm Schmidt telescope located near Cloudcroft, New Mexico-to help characterize the debris environment in geosynchronous Earth orbit (GEO). The CDT is equipped with a SITe 512 x 512 CCD camera whose 24 m2 (12.5 arc sec) pixels produce a 1.7 x 1.7-deg field of view. The CDT system can therefore detect l7th-magnitude objects in a 20-sec integration corresponding to an approx. 0.6-m diameter, 0.20 albedo object at 36,000 km. The telescope pointing and CCD operation are computer controlled to collect data automatically for an entire night. The CDT has collected more than 1500 hrs of data since November 1997. This report describes the collection and analysis of 58 nights (approx. 420 hrs) of data acquired in 1998.

Subdecoherence time generation and detection of orbital entanglement in quantum dots.

Science.gov (United States)

Brange, F; Malkoc, O; Samuelsson, P

2015-05-01

Recent experiments have demonstrated subdecoherence time control of individual single-electron orbital qubits. Here we propose a quantum-dot-based scheme for generation and detection of pairs of orbitally entangled electrons on a time scale much shorter than the decoherence time. The electrons are entangled, via two-particle interference, and transferred to the detectors during a single cotunneling event, making the scheme insensitive to charge noise. For sufficiently long detector dot lifetimes, cross-correlation detection of the dot charges can be performed with real-time counting techniques, providing for an unambiguous short-time Bell inequality test of orbital entanglement.

Strain engineered magnetic tunnel junctions and spin-orbit torque switching (Conference Presentation)

Science.gov (United States)

Wu, Yang; Narayanapillai, Kulothungasagaran; Elyasi, Mehrdad; Qiu, Xuepeng; Yang, Hyunsoo

2016-10-01

The efficient generation of pure spin currents and manipulation of the magnetization dynamics of magnetic structures is of central importance in the field of spintronics. The spin-orbit effect is one of the promising ways to generate spin currents, in which a charge current can be converted to a transverse spin current due to the spin-orbit interaction. We investigate the spin dynamics in the presence of strong spin-orbit coupling materials such as LaAlO3/SrTiO3 oxide heterostructures. Angle dependent magnetoresistance measurements are employed to detect and understand the current-induced spin-orbit torques, and an effective field of 2.35 T is observed for a dc-current of 200 uA. In order to understand the interaction between light and spin currents, we use a femtosecond laser to excite an ultrafast transient spin current and subsequent terahertz (THz) emission in nonmagnet (NM)/ferromagnet (FM)/oxide heterostructures. The THz emission strongly relies on spin-orbit interaction, and is tailored by the magnitude and sign of the effective spin Hall angle of the NM. Our results can be utilized for ultrafast spintronic devices and tunable THz sources.

Enhanced pairing susceptibility in a photodoped two-orbital Hubbard model

Science.gov (United States)

Werner, Philipp; Strand, Hugo U. R.; Hoshino, Shintaro; Murakami, Yuta; Eckstein, Martin

2018-04-01

Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multiorbital Hubbard models. At large Hubbard repulsion U , the pairing susceptibility is nevertheless tiny because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital Hubbard model, we show that out of equilibrium the pairing susceptibility in this large-U regime can be strongly enhanced by creating a photoinduced population of the relevant charge states. This enhancement is supported by the long lifetime of photodoped charge carriers and a built-in cooling mechanism in multiorbital Hubbard systems.

Charge ordering and opening of spin gap in NaV2O5

NARCIS (Netherlands)

Mostovoy, M.V.; Khomskii, D.I.

1999-01-01

We argue that the origin of the phase transition in quasi-one-dimensional antiferromagnet NaV2O5 is not the spin-Peierls (SP) instability, but a charge ordering. The opening of the spin gap and the lattice dimerization, characteristic for the spin-Peierls systems, in NaV2O5 result from the interplay

Semimetallic and charge-ordered α -(BEDT-TTF)2I3: On the role of disorder in dc transport and dielectric properties

Science.gov (United States)

Ivek, Tomislav; Čulo, Matija; Kuveždić, Marko; Tutiš, Eduard; Basletić, Mario; Mihaljević, Branimir; Tafra, Emil; Tomić, Silvia; Löhle, Anja; Dressel, Martin; Schweitzer, Dieter; Korin-Hamzić, Bojana

2017-08-01

α -(BEDT-TTF)2I3 is a prominent example of charge ordering among organic conductors. In this work, we explore the details of transport within the charge-ordered as well as semimetallic phase at ambient pressure. In the high-temperature semimetallic phase, the mobilities and concentrations of both electrons and holes conspire in such a way to create an almost temperature-independent conductivity as well as a low Hall effect. We explain these phenomena as a consequence of a predominantly interpocket scattering which equalizes mobilities of the two types of charge carriers. At low temperatures, within the insulating charge-ordered phase two channels of conduction can be discerned: a temperature-dependent activation, which follows the mean-field behavior, and a nearest-neighbor-hopping contribution. Together with negative magnetoresistance, the latter relies on the presence of disorder. The charge-ordered phase also features a prominent dielectric peak which bears a similarity to relaxor ferroelectrics. Its dispersion is determined by free-electron screening and pushed by disorder well below the transition temperature. The source of this disorder can be found in the anion layers which randomly perturb BEDT-TTF molecules through hydrogen bonds.

Comparisons of Modeling and State of Charge Estimation for Lithium-Ion Battery Based on Fractional Order and Integral Order Methods

Directory of Open Access Journals (Sweden)

Renxin Xiao

2016-03-01

Full Text Available In order to properly manage lithium-ion batteries of electric vehicles (EVs, it is essential to build the battery model and estimate the state of charge (SOC. In this paper, the fractional order forms of Thevenin and partnership for a new generation of vehicles (PNGV models are built, of which the model parameters including the fractional orders and the corresponding resistance and capacitance values are simultaneously identified based on genetic algorithm (GA. The relationships between different model parameters and SOC are established and analyzed. The calculation precisions of the fractional order model (FOM and integral order model (IOM are validated and compared under hybrid test cycles. Finally, extended Kalman filter (EKF is employed to estimate the SOC based on different models. The results prove that the FOMs can simulate the output voltage more accurately and the fractional order EKF (FOEKF can estimate the SOC more precisely under dynamic conditions.

Table of charged particle energies versus magnetic field strength x orbit radius (Bρ) for A = 1 to 7 (100< (Bρ) < 1200 kG.cm)

International Nuclear Information System (INIS)

Bianchi, L.

1969-01-01

A table of charged particle energies versus magnetic field strength x orbit radius (B ρ ) is presented. Particles p, d, t, 3 He ++ , 4 He + , 4 He ++ , 6 Li + , 6 Li ++ , 6 Li +++ , 7 Li + , 7 Li ++ , 7 Li +++ . Values of B ρ : 100 to 1200 kG.cm by steps of 0.5 kG.cm. Values of energies are given in keV. (author) [fr

Charge Transfer in Collisions of S^4+ with He.

Science.gov (United States)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic helium were investigated for energies between 0.1 meV/u and 10 MeV/u. Total and state-selective cross sections and rate coefficients were obtained utilizing the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were also explored. Previous data are limited to an earlier Landau-Zener calculation of the total rate coefficient for which our results are two orders of magnitude larger. An observed multichannel interference effect in the MOCC results will also be discussed.

Third-order QCD corrections to the charged-current structure function F3

International Nuclear Information System (INIS)

Moch, S.; Vermaseren, J.A.M.; Vogt, A.

2008-12-01

We compute the coefficient function for the charge-averaged W ± -exchange structure function F 3 in deep-inelastic scattering (DIS) to the third order in massless perturbative QCD. Our new three-loop contribution to this quantity forms, at not too small values of the Bjorken variable x, the dominant part of the next-to-next-to-next-to-leading order corrections. It thus facilitates improved determinations of the strong coupling α s and of 1/Q 2 power corrections from scaling violations measured in neutrino-nucleon DIS. The expansion of F 3 in powers of α s is stable at all values of x relevant to measurements at high scales Q 2 . At small x the third-order coefficient function is dominated by diagrams with the colour structure d abc d abc not present at lower orders. At large x the coefficient function for F 3 is identical to that of F 1 up to terms vanishing for x→1. (orig.)

Charge pumping by magnetization dynamics in magnetic and semimagnetic tunnel junctions with interfacial Rashba or bulk extrinsic spin-orbit coupling

Science.gov (United States)

Mahfouzi, Farzad; Fabian, Jaroslav; Nagaosa, Naoto; Nikolić, Branislav K.

2012-02-01

We develop a time-dependent nonequilibrium Green function (NEGF) approach to the problem of spin pumping by precessing magnetization in one of the ferromagnetic layers within F|I|F magnetic tunnel junctions (MTJs) or F|I|N semi-MTJs in the presence of intrinsic Rashba spin-orbit coupling (SOC) at the F|I interface or the extrinsic SOC in the bulk of F layers of finite thickness (F, ferromagnet; N, normal metal; I, insulating barrier). To express the time-averaged pumped charge current, or the corresponding dc voltage signal in an open circuit, we construct a novel solution to double-time-Fourier-transformed NEGF equations. The two energy arguments of NEGFs in this representation are connected by the Floquet theorem describing multiphoton emission and absorption processes. Within this fully quantum-mechanical treatment of the conduction electrons, we find that (i) only in the presence of the interfacial Rashba SOC, the nonzero dc pumping voltage Vpump in F|I|N junctions can emerge at the adiabatic level (i.e., proportional to the microwave frequency), which could explain recent experiments on microwave-driven semi-MTJs [T. Moriyama , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.067602 100, 067602 (2008)]; (ii) a unique signature of this charge pumping phenomenon, where the Rashba SOC within the precessing F layer participates in the pumping process, is a Vpump that changes sign as the function of the precession cone angle; (iii) unlike conventional spin pumping in MTJs in the absence of any SOC, where one emitted or absorbed microwave photon is sufficient to match the exact solution in the frame rotating with the magnetization, the presence of the Rashba SOC requires taking into account up to 10 photons in order to reach the asymptotic value of pumped charge current; (iv) the disorder within F|I|F MTJs can enhance Vpump in the quasiballistic transport regime; and (v) the extrinsic SOC in F|I|F MTJs causes spin relaxation and eventually the decay of Vpump

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

Science.gov (United States)

Datta, Dipayan; Kossmann, Simone; Neese, Frank

2016-09-01

The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-07-01

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

Delocalization of charge and current in a chiral quasiparticle wave packet

Science.gov (United States)

Sarkar, Subhajit

2018-03-01

A chiral quasiparticle wave packet (c-QPWP) is defined as a conventional superposition of chiral quasiparticle states corresponding to an interacting electron system in two dimensions (2D) in the presence of Rashba spin-orbit coupling (RSOC). I investigate its internal structure via studying the charge and the current densities within the first-order perturbation in the electron-electron interaction. It is found that the c-QPWP contains a localized charge which is less than the magnitude of the bare charge and the remaining charge resides at the system boundary. The amount of charge delocalized turns out to be inversely proportional to the degenerate Fermi velocity v0(=√{α2+2 μ /m }) when RSOC (with strength α ) is weak, and therefore externally tunable. For strong RSOC, the magnitudes of both the delocalized charge and the current further strongly depend on the direction of propagation of the wave packet. Both the charge and the current densities consist of an anisotropic r-2 tail away from the center of the wave packet. Possible implications of such delocalizations in real systems corresponding to 2D semiconductor heterostructure are also discussed within the context of particle injection experiments.

Effective interactions between concentration fluctuations and charge transfer in chemically ordering liquid alloys

International Nuclear Information System (INIS)

Akdeniz, Z.; Tosi, M.P.

1992-08-01

The correlations between long-wavelength fluctuations of concentration in a liquid binary alloy are determined by a balance between an elastic strain free energy and an Ornstein-Zernike effective interaction. The latter is extracted from thermodynamic data in the case of the Li-Pb system, which is well known to chemically order with stoichiometric composition corresponding to Li 4 Pb. Strong attractive interactions between concentration fluctuations near the composition of chemical ordering originate from electronic charge transfer, which is estimated from the electron-ion partial structure factors as functions of composition in the liquid alloy. (author). 20 refs, 2 figs

Electrostatic Model Applied to ISS Charged Water Droplet Experiment

Science.gov (United States)

Stevenson, Daan; Schaub, Hanspeter; Pettit, Donald R.

2015-01-01

The electrostatic force can be used to create novel relative motion between charged bodies if it can be isolated from the stronger gravitational and dissipative forces. Recently, Coulomb orbital motion was demonstrated on the International Space Station by releasing charged water droplets in the vicinity of a charged knitting needle. In this investigation, the Multi-Sphere Method, an electrostatic model developed to study active spacecraft position control by Coulomb charging, is used to simulate the complex orbital motion of the droplets. When atmospheric drag is introduced, the simulated motion closely mimics that seen in the video footage of the experiment. The electrostatic force's inverse dependency on separation distance near the center of the needle lends itself to analytic predictions of the radial motion.

Emergent spin electromagnetism induced by magnetization textures in the presence of spin-orbit interaction (invited)

Energy Technology Data Exchange (ETDEWEB)

Tatara, Gen, E-mail: gen.tatara@riken.jp [RIKEN Center for Emergent Matter Science (CEMS), 2-1 Hirosawa, Wako, Saitama 351-0198 Japan (Japan); Nakabayashi, Noriyuki [RIKEN Center for Emergent Matter Science (CEMS), 2-1 Hirosawa, Wako, Saitama 351-0198 Japan (Japan); Graduate School of Science and Engineering, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 Japan (Japan)

2014-05-07

Emergent electromagnetic field which couples to electron's spin in ferromagnetic metals is theoretically studied. Rashba spin-orbit interaction induces spin electromagnetic field which is in the linear order in gradient of magnetization texture. The Rashba-induced effective electric and magnetic fields satisfy in the absence of spin relaxation the Maxwell's equations as in the charge-based electromagnetism. When spin relaxation is taken into account besides spin dynamics, a monopole current emerges generating spin motive force via the Faraday's induction law. The monopole is expected to play an important role in spin-charge conversion and in the integration of spintronics into electronics.

Thermal State-of-Charge in Solar Heat Receivers

Science.gov (United States)

Hall, Carsie, A., III; Glakpe, Emmanuel K.; Cannon, Joseph N.; Kerslake, Thomas W.

1998-01-01

A theoretical framework is developed to determine the so-called thermal state-of-charge (SOC) in solar heat receivers employing encapsulated phase change materials (PCMS) that undergo cyclic melting and freezing. The present problem is relevant to space solar dynamic power systems that would typically operate in low-Earth-orbit (LEO). The solar heat receiver is integrated into a closed-cycle Brayton engine that produces electric power during sunlight and eclipse periods of the orbit cycle. The concepts of available power and virtual source temperature, both on a finite-time basis, are used as the basis for determining the SOC. Analytic expressions for the available power crossing the aperture plane of the receiver, available power stored in the receiver, and available power delivered to the working fluid are derived, all of which are related to the SOC through measurable parameters. Lower and upper bounds on the SOC are proposed in order to delineate absolute limiting cases for a range of input parameters (orbital, geometric, etc.). SOC characterization is also performed in the subcooled, two-phase, and superheat regimes. Finally, a previously-developed physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) system is used in order to predict the SOC as a function of measurable parameters.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

Science.gov (United States)

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Local Symmetry and Domain Patterns: Ordering Phenomena in Transition-Metal Oxides

OpenAIRE

Buchholz, Marcel

2013-01-01

Transition-metal oxides (TMOs) show rich phase diagrams with various magnetic and electronic phases that arise from the complex interplay between spin, charge, orbital, and lattice degrees of freedom. The most prominent class of materials, which has attracted a lot of attention in the last decades, are probably high-temperature superconductors (HTS), in which the resitivity drops to zero below a critical temperature. Further examples are different kind of complex ordering phenomena, for examp...

Spacecraft Charging: Hazard Causes, Hazard Effects, Hazard Controls

Science.gov (United States)

Koontz, Steve.

2018-01-01

Spacecraft flight environments are characterized both by a wide range of space plasma conditions and by ionizing radiation (IR), solar ultraviolet and X-rays, magnetic fields, micrometeoroids, orbital debris, and other environmental factors, all of which can affect spacecraft performance. Dr. Steven Koontz's lecture will provide a solid foundation in the basic engineering physics of spacecraft charging and charging effects that can be applied to solving practical spacecraft and spacesuit engineering design, verification, and operations problems, with an emphasis on spacecraft operations in low-Earth orbit, Earth's magnetosphere, and cis-Lunar space.

A Physical Model of the Proton Radiation Belts of Jupiter inside Europa's Orbit

Science.gov (United States)

Nénon, Q.; Sicard, A.; Kollmann, P.; Garrett, H. B.; Sauer, S. P. A.; Paranicas, C.

2018-05-01

A physical model of the Jovian trapped protons with kinetic energies higher than 1 MeV inward of the orbit of the icy moon Europa is presented. The model, named Salammbô, takes into account the radial diffusion process, the absorption effect of the Jovian moons, and the Coulomb collisions and charge exchanges with the cold plasma and neutral populations of the inner Jovian magnetosphere. Preliminary modeling of the wave-particle interaction with electromagnetic ion cyclotron waves near the moon Io is also performed. Salammbô is validated against in situ proton measurements of Pioneer 10, Pioneer 11, Voyager 1, Galileo Probe, and Galileo Orbiter. A prominent feature of the MeV proton intensity distribution in the modeled area is the 2 orders of magnitude flux depletion observed in MeV measurements near the orbit of Io. Our simulations reveal that this is not due to direct interactions with the moon or its neutral environment but results from scattering of the protons by electromagnetic ion cyclotron waves.

Nonextensive electron and ion dust charging currents

International Nuclear Information System (INIS)

Amour, Rabia; Tribeche, Mouloud

2011-01-01

The correct nonextensive electron and ion charging currents are presented for the first time based on the orbit motion limited approach. For -1< q<1, where q measures the amount of plasma nonextensivity, the nonextensive electron charging current is expressed in terms of the hypergeometric function. The variable dust charge is expressed in terms of the Lambert function and we take advantage of this transcendental function to investigate succinctly the effects of nonextensive charge carriers. The obtained formulas bring a possibility to build theories on nonlinear collective process in variable charge nonextensive dusty plasmas.

On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries

Science.gov (United States)

Bennett, Trevor J.

In recent years, there is a growing interest in active debris removal and on-orbit servicing of Earth orbiting assets. The growing need for such approaches is often exemplified by the Iridium-Kosmos collision in 2009 that generated thousands of debris fragments. There exists a variety of active debris removal and on-orbit servicing technologies in development. Conventional docking mechanisms and mechanical capture by actuated manipulators, exemplified by NASA's Restore-L mission, require slow target tumble rates or more aggressive circumnavigation rate matching. The tumble rate limitations can be overcome with flexible capture systems such nets, harpoons, or tethers yet these systems require complex deployment, towing, and/or interfacing strategies to avoid servicer and target damage. Alternatively, touchless methods overcome the tumble rate limitations by provide detumble control prior to a mechanical interface. This thesis explores electrostatic detumble technology to touchlessly reduce large target rotation rates of Geostationary satellites and debris. The technical challenges preceding flight implementation largely reside in the long-duration formation flying guidance, navigation, and control of a servicer spacecraft equipped with electrostatic charge transfer capability. Leveraging prior research into the electrostatic charging of spacecraft, electrostatic detumble control formulations are developed for both axisymmetric and generic target geometries. A novel relative position vector and associated relative orbit control approach is created to manage the long-duration proximity operations. Through detailed numerical simulations, the proposed detumble and relative motion control formulations demonstrate detumble of several thousand kilogram spacecraft tumbling at several degrees per second in only several days. The availability, either through modeling or sensing, of the relative attitude, relative position, and electrostatic potential are among key concerns

Spin-orbit torques in magnetic bilayers

Science.gov (United States)

Haney, Paul

2015-03-01

Spintronics aims to utilize the coupling between charge transport and magnetic dynamics to develop improved and novel memory and logic devices. Future progress in spintronics may be enabled by exploiting the spin-orbit coupling present at the interface between thin film ferromagnets and heavy metals. In these systems, applying an in-plane electrical current can induce magnetic dynamics in single domain ferromagnets, or can induce rapid motion of domain wall magnetic textures. There are multiple effects responsible for these dynamics. They include spin-orbit torques and a chiral exchange interaction (the Dzyaloshinskii-Moriya interaction) in the ferromagnet. Both effects arise from the combination of ferromagnetism and spin-orbit coupling present at the interface. There is additionally a torque from the spin current flux impinging on the ferromagnet, arising from the spin hall effect in the heavy metal. Using a combination of approaches, from drift-diffusion to Boltzmann transport to first principles methods, we explore the relative contributions to the dynamics from these different effects. We additionally propose that the transverse spin current is locally enhanced over its bulk value in the vicinity of an interface which is oriented normal to the charge current direction.

Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

Energy Technology Data Exchange (ETDEWEB)

Kocharian, Armen N. [Department of Physics, California State University, Los Angeles, CA 90032 (United States); Fernando, Gayanath W.; Fang, Kun [Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States); Palandage, Kalum [Department of Physics, Trinity College, Hartford, Connecticut 06106 (United States); Balatsky, Alexander V. [AlbaNova University Center Nordita, SE-106 91 Stockholm (Sweden)

2016-05-15

Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

Directory of Open Access Journals (Sweden)

Armen N. Kocharian

2016-05-01

Full Text Available Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

Colossal thermoelectric power in charge ordered lanthanum calcium manganites (La{sub 0.5}Ca{sub 0.5}MnO{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Joy, Lija K.; Anantharaman, M. R., E-mail: mraiyer@yahoo.com [Department of Physics, Cochin University of Science and Technology, Cochin 682022 (India); Shanmukharao Samatham, S.; Ganesan, V. [Low temperature division, UGC-DAE Consortium for Scientific Research, Indore (India); Thomas, Senoy [Material Science and Technology Division, National Institute for Interdisciplinary Science and Technology, Thiruvananthapuram–695019 (India); Al-Harthi, Salim [Department of Physics, Sultan Qaboos University, Muscat PC 123, Sultanate of Oman (Oman); Liebig, A.; Albrecht, M. [Institute of Physics, University of Augsburg, Augsburg 86135 (Germany)

2014-12-07

Lanthanum calcium manganites (La{sub 0.5}Ca{sub 0.5}MnO{sub 3}) with a composition close to charge ordering, synthesized by high energy ball milling, was found to exhibit colossal thermoelectric power. Thermoelectric power (TEP) data was systematically analyzed by dividing the entire temperature range (5 K–300 K) into three different regimes to explore different scattering mechanisms involved. Mandal's model has been applied to explain TEP data in the region below the Curie temperature (T{sub C}). It has been found that the variation of thermoelectric power with temperature is pronounced when the system enters the charge ordered region at T < 200 K. For temperatures lower than 120 K, due to the co-existence of charge ordered state with a spin-glass state, the variation of thermoelectric power is maximum and exhibited a peak value of −80 mV/K at 58 K. This has been explained by incorporating Kondo properties of the spin-glass along with magnon scattering. FC-ZFC magnetization measurements indicate the existence of a glassy state in the region corresponding to a maximum value of thermoelectric power. Phonon drag contribution instead of spin-glass contribution is taken into account to explain TEP in the region 120 K < T < T{sub C}. Mott's polaronic contribution of charge carriers are considered to interpret TEP in the high temperature region (T > T{sub C}). The optimal Mn{sup 4+}-Mn{sup 3+} concentration in charge ordered La{sub 0.5}Ca{sub 0.5}MnO{sub 3} was examined by X-ray Photoelectron Spectroscopy analysis which confirms the charge ordered nature of this compound.

Design study of beam position monitors for measuring second-order moments of charged particle beams

Science.gov (United States)

Yanagida, Kenichi; Suzuki, Shinsuke; Hanaki, Hirofumi

2012-01-01

This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM) that detects higher-order (multipole) moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420μm (circular) and ≧550μm (elliptical).

Higher-order spin and charge dynamics in a quantum dot-lead hybrid system.

Science.gov (United States)

Otsuka, Tomohiro; Nakajima, Takashi; Delbecq, Matthieu R; Amaha, Shinichi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Stano, Peter; Noiri, Akito; Ito, Takumi; Loss, Daniel; Ludwig, Arne; Wieck, Andreas D; Tarucha, Seigo

2017-09-22

Understanding the dynamics of open quantum systems is important and challenging in basic physics and applications for quantum devices and quantum computing. Semiconductor quantum dots offer a good platform to explore the physics of open quantum systems because we can tune parameters including the coupling to the environment or leads. Here, we apply the fast single-shot measurement techniques from spin qubit experiments to explore the spin and charge dynamics due to tunnel coupling to a lead in a quantum dot-lead hybrid system. We experimentally observe both spin and charge time evolution via first- and second-order tunneling processes, and reveal the dynamics of the spin-flip through the intermediate state. These results enable and stimulate the exploration of spin dynamics in dot-lead hybrid systems, and may offer useful resources for spin manipulation and simulation of open quantum systems.

Charge and current orders in the spin-fermion model with overlapping hot spots

Science.gov (United States)

Volkov, Pavel A.; Efetov, Konstantin B.

2018-04-01

Experiments carried over the last years on the underdoped cuprates have revealed a variety of symmetry-breaking phenomena in the pseudogap state. Charge-density waves, breaking of C4 rotational symmetry as well as time-reversal symmetry breaking have all been observed in several cuprate families. In this regard, theoretical models where multiple nonsuperconducting orders emerge are of particular interest. We consider the recently introduced [Volkov and Efetov, Phys. Rev. B 93, 085131 (2016), 10.1103/PhysRevB.93.085131] spin-fermion model with overlapping `hot spots' on the Fermi surface. Focusing on the particle-hole instabilities we obtain a rich phase diagram with the chemical potential relative to the dispersion at (0 ,π );(π ,0 ) and the Fermi surface curvature in the antinodal regions being the control parameters. We find evidence for d-wave Pomeranchuk instability, d-form factor charge density waves, as well as commensurate and incommensurate staggered bond current phases similar to the d-density wave state. The current orders are found to be promoted by the curvature. Considering the appropriate parameter range for the hole-doped cuprates, we discuss the relation of our results to the pseudogap state and incommensurate magnetic phases of the cuprates.

Melting of Domain Wall in Charge Ordered Dirac Electron of Organic Conductor α-(BEDT-TTF)2I3

Science.gov (United States)

Ohki, Daigo; Matsuno, Genki; Omori, Yukiko; Kobayashi, Akito

2018-05-01

The origin of charge order melting is identified by using the real space dependent mean-field theory in the extended Hubbard model describing an organic Dirac electron system α-(BEDT-TTF)2I3. In this model, the width of a domain wall which arises between different types of the charge ordered phase exhibits a divergent increase with decreasing the strength of electron-electron correlations. By analyzing the finite-size effect carefully, it is shown that the divergence coincides with a topological transition where a pair of Dirac cones merges in keeping with a finite gap. It is also clarified that the gap opening point and the topological transition point are different, which leads to the existence of an exotic massive Dirac electron phase with melted-type domain wall and gapless edge states. The present result also indicated that multiple metastable states are emerged in massive Dirac Electron phase. In the trivial charge ordered phase, the gapless domain-wall bound state takes place instead of the gapless edge states, accompanying with a form change of the domain wall from melted-type into hyperbolic-tangent-type.

Charging and heat collection by a positively charged dust grain in a plasma.

Science.gov (United States)

Delzanno, Gian Luca; Tang, Xian-Zhu

2014-07-18

Dust particulates immersed in a quasineutral plasma can emit electrons in several important applications. Once electron emission becomes strong enough, the dust enters the positively charged regime where the conventional orbital-motion-limited (OML) theory can break down due to potential-well effects on trapped electrons. A minimal modification of the trapped-passing boundary approximation in the so-called OML(+) approach is shown to accurately predict the dust charge and heat collection flux for a wide range of dust size and temperature.

Image-charge-induced localization of molecular orbitals at metal-molecule interfaces

DEFF Research Database (Denmark)

Strange, M.; Thygesen, K. S.

2012-01-01

Quasiparticle (QP) wave functions, also known as Dyson orbitals, extend the concept of single-particle states to interacting electron systems. Here we employ many-body perturbation theory in the GW approximation to calculate the QP wave functions for a semiempirical model describing a pi-conjugat......Quasiparticle (QP) wave functions, also known as Dyson orbitals, extend the concept of single-particle states to interacting electron systems. Here we employ many-body perturbation theory in the GW approximation to calculate the QP wave functions for a semiempirical model describing a pi...

Use of the neighboring orbital model for analysis of electronic coupling in Class III intervalence compounds

International Nuclear Information System (INIS)

Nelsen, Stephen F.; Weaver, Michael N.; Luo Yun; Lockard, Jenny V.; Zink, Jeffrey I.

2006-01-01

Symmetrical charge-delocalized intervalence radical ions should not be described by the traditional two-state model that has been so successful for their localized counterparts. If they lack direct overlap between their charge-bearing units (M), their diabatic orbitals have an equal energy pair of symmetrized M-centered combination orbitals that are symmetric (S) or antisymmetric (A) with respect to a symmetry element at the center of the molecule. The M combination orbitals will mix separately with bridge orbitals of the same symmetry. We call the simplest useful model for this situation the neighboring orbital model, which uses the S and A bridge orbitals of high overlap that lie closest in energy to the M orbital pair, resulting in two two-state models that have a common energy for one pair. This model is developed quantitatively, and examples having 1, 3, 5, and 7 electrons in the neighboring orbitals are illustrated

Effect of asymmetric interface on charge and spin transport across two dimensional electron gas with Dresselhaus spin-orbit coupling/ferromagnet junction

Science.gov (United States)

Srisongmuang, B.; Pasanai, K.

2018-04-01

We theoretically studied the effect of interfacial scattering on the transport of charge and spin across the junction of a two-dimensional electron gas with Dresselhaus spin-orbit coupling and ferromagnetic material junction, via the conductance (G) and the spin-polarization of the conductance spectra (P) using the scattering method. At the interface, not only were the effects of spin-conserving (Z0) and spin-flip scattering (Zf) considered, but also the interfacial Rashba spin-orbit coupling scattering (ZRSOC) , which was caused by the asymmetry of the interface, was taken into account, and all of them were modeled by the delta potential. It was found that G was suppressed with increasing Z0 , as expected. Interestingly, a particular value of Zf can cause G and P to reach a maximum value. In particular, ZRSOC plays a crucial role to reduce G and P in the metallic limit, but its influence on the tunneling limit was quite weak. On the other hand, the effect of ZRSOC was diminished in the tunneling limit of the magnetic junction.

About counterintuitive orbital mixing and bond populations

International Nuclear Information System (INIS)

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

1983-01-01

It is shown that negative bond and orbital populations may be avoided by the introduction of a weight factor in a bond index definition, together with a suitable parameterization. The negative bond populations found for first-row metal complexes need not be ascribed to counterintuitive orbital mixing but rather, essentially, to the equipartition of the charge distribution. Different definitions of the bond population are compared for ferrocene and the effects of some parameterizations are discussed. (Author) [pt

Distinct charge orders in the planes and chains of ortho-III-ordered YBa2Cu3O(6+δ) superconductors identified by resonant elastic x-ray scattering.

Science.gov (United States)

Achkar, A J; Sutarto, R; Mao, X; He, F; Frano, A; Blanco-Canosa, S; Le Tacon, M; Ghiringhelli, G; Braicovich, L; Minola, M; Sala, M Moretti; Mazzoli, C; Liang, Ruixing; Bonn, D A; Hardy, W N; Keimer, B; Sawatzky, G A; Hawthorn, D G

2012-10-19

Recently, charge density wave (CDW) order in the CuO(2) planes of underdoped YBa(2)Cu(3)O(6+δ) was detected using resonant soft x-ray scattering. An important question remains: is the chain layer responsible for this charge ordering? Here, we explore the energy and polarization dependence of the resonant scattering intensity in a detwinned sample of YBa(2)Cu(3)O(6.75) with ortho-III oxygen ordering in the chain layer. We show that the ortho-III CDW order in the chains is distinct from the CDW order in the planes. The ortho-III structure gives rise to a commensurate superlattice reflection at Q=[0.33 0 L] whose energy and polarization dependence agrees with expectations for oxygen ordering and a spatial modulation of the Cu valence in the chains. Incommensurate peaks at [0.30 0 L] and [0 0.30 L] from the CDW order in the planes are shown to be distinct in Q as well as their temperature, energy, and polarization dependence, and are thus unrelated to the structure of the chain layer. Moreover, the energy dependence of the CDW order in the planes is shown to result from a spatial modulation of energies of the Cu 2p to 3d(x(2)-y(2)) transition, similar to stripe-ordered 214 cuprates.

Report of the NASA Science Definition Team for the Mars Science Orbiter (MSO)

Science.gov (United States)

Smith, Michael

2007-01-01

NASA is considering that its Mars Exploration Program (MEP) will launch an orbiter to Mars in the 2013 launch opportunity. To further explore this opportunity, NASA has formed a Science Definition Team (SDT) for this orbiter mission, provisionally called the Mars Science Orbiter (MSO). Membership and leadership of the SDT are given in Appendix 1. Dr. Michael D. Smith chaired the SDT. The purpose of the SDT was to define the: 1) Scientific objectives of an MSO mission to be launched to Mars no earlier than the 2013 launch opportunity, building on the findings for Plan A [Atmospheric Signatures and Near-Surface Change] of the Mars Exploration Program Analysis Group (MEPAG) Second Science Analysis Group (SAG-2); 2) Science requirements of instruments that are most likely to make high priority measurements from the MSO platform, giving due consideration to the likely mission, spacecraft and programmatic constraints. The possibilities and opportunities for international partners to provide the needed instrumentation should be considered; 3) Desired orbits and mission profile for optimal scientific return in support of the scientific objectives, and the likely practical capabilities and the potential constraints defined by the science requirements; and 4) Potential science synergies with, or support for, future missions, such as a Mars Sample Return. This shall include imaging for evaluation and certification of future landing sites. As a starting point, the SDT was charged to assume spacecraft capabilities similar to those of the Mars Reconnaissance Orbiter (MRO). The SDT was further charged to assume that MSO would be scoped to support telecommunications relay of data from, and commands to, landed assets, over a 10 Earth year period following orbit insertion. Missions supported by MSO may include planned international missions such as EXOMARS. The MSO SDT study was conducted during October - December 2007. The SDT was directed to complete its work by December 15, 2007

Anisotropic magnetoresistance across Verwey transition in charge ordered Fe3O4 epitaxial films

KAUST Repository

Liu, Xiang

2017-12-26

The anisotropic magnetoresistance (AMR) near the Verwey temperature (T-V) is investigated in charge ordered Fe3O4 epitaxial films. When the temperature continuously decreases below T-V, the symmetry of AMR in Fe3O4(100) film evolves from twofold to fourfold at a magnetic field of 50 kOe, where the magnetic field is parallel to the film surface, whereas AMR in Fe3O4(111) film maintains twofold symmetry. By analyzing AMR below T-V, it is found that the Verwey transition contains two steps, including a fast charge ordering process and a continuous formation process of trimeron, which is comfirmed by the temperature-dependent Raman spectra. Just below T-V, the twofold AMR in Fe3O4(100) film originates from uniaxial magnetic anisotropy. The fourfold AMR at a lower temperature can be ascribed to the in-plane trimerons. By comparing the AMR in the films with two orientations, it is found that the trimeron shows a smaller resistivity in a parallel magnetic field. The field-dependent AMR results show that the trimeron-sensitive field has a minimum threshold of about 2 kOe.

Phase separation, effects of magnetic field and high pressure on charge ordering in γ-Na0.5CoO2

International Nuclear Information System (INIS)

Yang, H.X.; Shi, Y.G.; Nie, C.J.; Wu, D.; Yang, L.X.; Dong, C.; Yu, H.C.; Zhang, H.R.; Jin, C.Q.; Li, J.Q.

2005-01-01

Transmission electron microscopy (TEM) observations reveal the presence of complex superstructures and remarkable phase separation in association with Na-ordering phenomenon in γ-Na 0.5 CoO 2 . Resistivity and magnetization measurements indicate that three phase transitions at the temperatures of 25, 53 and 90 K, respectively, appear commonly in γ-Na 0.5 CoO 2 samples. Under a high pressure up to 10 kbar, the low-temperature transport properties show certain changes below the charge order transition; under an applied magnetic field of 7 T, phase transitions at around 25 and 53 K, proposed fundamentally in connection with alternations of magnetic structure and charge ordering maintain almost unchanged

On the periodic orbits of the Third-order differential equation x ' ' '- x ' ' x'- x= F(x,x',x ' ')

OpenAIRE

Llibre, Jaume

2013-01-01

Agraïments: The second author is partially supported by CAPES/MECD-DGU 222/2010 Brazil and Spain In this paper we study the periodic orbits of the third-order differential equation x''' − µx'' + x' − µx = εF(x, x', x''), where ε is a small parameter and the function F is of class C2.

Microscopic theory of longitudinal sound velocity in charge ordered manganites

International Nuclear Information System (INIS)

Rout, G C; Panda, S

2009-01-01

A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e g band, an exchange interaction between spins of the itinerant e g band electrons and the core t 2g electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

Microscopic theory of longitudinal sound velocity in charge ordered manganites

Energy Technology Data Exchange (ETDEWEB)

Rout, G C [Condensed Matter Physics Group, PG Department of Applied Physics and Ballistics, FM University, Balasore 756 019 (India); Panda, S, E-mail: gcr@iopb.res.i [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India)

2009-10-14

A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e{sub g} band, an exchange interaction between spins of the itinerant e{sub g} band electrons and the core t{sub 2g} electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

Spin Orbit Torque in Ferromagnetic Semiconductors

KAUST Repository

Li, Hang

2016-06-21

Electrons not only have charges but also have spin. By utilizing the electron spin, the energy consumption of electronic devices can be reduced, their size can be scaled down and the efficiency of `read\\' and `write\\' in memory devices can be significantly improved. Hence, the manipulation of electron spin in electronic devices becomes more and more appealing for the advancement of microelectronics. In spin-based devices, the manipulation of ferromagnetic order parameter using electrical currents is a very useful means for current-driven operation. Nowadays, most of magnetic memory devices are based on the so-called spin transfer torque, which stems from the spin angular momentum transfer between a spin-polarized current and the magnetic order parameter. Recently, a novel spin torque effect, exploiting spin-orbit coupling in non-centrosymmetric magnets, has attracted a massive amount of attention. This thesis addresses the nature of spin-orbit coupled transport and torques in non-centrosymmetric magnetic semiconductors. We start with the theoretical study of spin orbit torque in three dimensional ferromagnetic GaMnAs. Using the Kubo formula, we calculate both the current-driven field-like torque and anti-damping-like torque. We compare the numerical results with the analytical expressions in the model case of a magnetic Rashba two-dimensional electron gas. Parametric dependencies of the different torque components and similarities to the analytical results of the Rashba two-dimensional electron gas in the weak disorder limit are described. Subsequently we study spin-orbit torques in two dimensional hexagonal crystals such as graphene, silicene, germanene and stanene. In the presence of staggered potential and exchange field, the valley degeneracy can be lifted and we obtain a valley-dependent Berry curvature, leading to a tunable antidamping torque by controlling the valley degree of freedom. This thesis then addresses the influence of the quantum spin Hall

DFT and TD-DFT computation of charge transfer complex between o-phenylenediamine and 3,5-dinitrosalicylic acid

International Nuclear Information System (INIS)

Afroz, Ziya; Zulkarnain,; Ahmad, Afaq; Alam, Mohammad Jane; Faizan, Mohd; Ahmad, Shabbir

2016-01-01

DFT and TD-DFT studies of o-phenylenediamine (PDA), 3,5-dinitrosalicylic acid (DNSA) and their charge transfer complex have been carried out at B3LYP/6-311G(d,p) level of theory. Molecular geometry and various other molecular properties like natural atomic charges, ionization potential, electron affinity, band gap, natural bond orbital (NBO) and frontier molecular analysis have been presented at same level of theory. Frontier molecular orbital and natural bond orbital analysis show the charge delocalization from PDA to DNSA.

Charge ordering in reactive sputtered (1 0 0) and (1 1 1) oriented epitaxial Fe3O4 films

KAUST Repository

Mi, Wenbo

2013-06-01

Epitaxial Fe3O4 films with (1 0 0) and (1 1 1) orientations fabricated by reactive sputtering present simultaneous magnetic and electrical transitions at 120 and 124 K, respectively. The symmetry decreases from face-centered cubic to monoclinic structure across the Verwey transition. Extra spots with different brightness at different positions appear in selected-area diffraction patterns at 95 K. The extra spots come from the charge ordering of outer-layer electrons of Fe atoms, and should be related to the charge ordering of octahedral B-site Fe atoms. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Charge ordering in reactive sputtered (1 0 0) and (1 1 1) oriented epitaxial Fe3O4 films

KAUST Repository

Mi, Wenbo; Guo, Zaibing; Wang, Qingxiao; Yang, Yang; Bai, Haili

2013-01-01

Epitaxial Fe3O4 films with (1 0 0) and (1 1 1) orientations fabricated by reactive sputtering present simultaneous magnetic and electrical transitions at 120 and 124 K, respectively. The symmetry decreases from face-centered cubic to monoclinic structure across the Verwey transition. Extra spots with different brightness at different positions appear in selected-area diffraction patterns at 95 K. The extra spots come from the charge ordering of outer-layer electrons of Fe atoms, and should be related to the charge ordering of octahedral B-site Fe atoms. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The method of coadjoint orbits

International Nuclear Information System (INIS)

Delius, G.W.; Van Nieuwenhuizen, P.; Rodgers, V.G.J.

1990-01-01

The method of coadjoint orbits produces for any infinite dimensional Lie (super) algebra A with nontrivial central charge an action for scalar (super) fields which has at least the symmetry A. In this article, the authors try to make this method accessible to a larger audience by analyzing several examples in more detail than in the literature. After working through the Kac-Moody and Virasoro cases, we apply the method to the super Virasoro algebra and reobtain the super-symmetric extension of Polyakov's local nonpolynomial action for two-dimensional quantum gravity. As in the Virasoro case this action corresponds to the coadjoint orbit of a pure central extension. The authors further consider the actions corresponding to the other orbits of the super Virasoro algebra. As a new result the authors construct the actions for the N = 2 super Virasoro algebra

Brane orbits

CERN Document Server

Bergshoeff, Eric A; Riccioni, Fabio

2012-01-01

We complete the classification of half-supersymmetric branes in toroidally compactified IIA/IIB string theory in terms of representations of the T-duality group. As a by-product we derive a last wrapping rule for the space-filling branes. We find examples of T-duality representations of branes in lower dimensions, suggested by supergravity, of which none of the component branes follow from the reduction of any brane in ten-dimensional IIA/IIB string theory. We discuss the constraints on the charges of half-supersymmetric branes, determining the corresponding T-duality and U-duality orbits.

Design study of beam position monitors for measuring second-order moments of charged particle beams

Directory of Open Access Journals (Sweden)

Kenichi Yanagida

2012-01-01

Full Text Available This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM that detects higher-order (multipole moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420  μm (circular and ≧550  μm (elliptical.

Charge-transfer channel in quantum dot-graphene hybrid materials

Science.gov (United States)

Cao, Shuo; Wang, Jingang; Ma, Fengcai; Sun, Mengtao

2018-04-01

The energy band theory of a classical semiconductor can qualitatively explain the charge-transfer process in low-dimensional hybrid colloidal quantum dot (QD)-graphene (GR) materials; however, the definite charge-transfer channels are not clear. Using density functional theory (DFT) and time-dependent DFT, we simulate the hybrid QD-GR nanostructure, and by constructing its orbital interaction diagram, we show the quantitative coupling characteristics of the molecular orbitals (MOs) of the hybrid structure. The main MOs are derived from the fragment MOs (FOs) of GR, and the Cd13Se13 QD FOs merge with the GR FOs in a certain proportion to afford the hybrid system. Upon photoexcitation, electrons in the GR FOs jump to the QD FOs, leaving holes in the GR FOs, and the definite charge-transfer channels can be found by analyzing the complex MOs coupling. The excited electrons and remaining holes can also be localized in the GR or the QD or transfer between the QD and GR with different absorption energies. The charge-transfer process for the selected excited states of the hybrid QD-GR structure are testified by the charge difference density isosurface. The natural transition orbitals, charge-transfer length analysis and 2D site representation of the transition density matrix also verify the electron-hole delocalization, localization, or coherence chacracteristics of the selected excited states. Therefore, our research enhances understanding of the coupling mechanism of low-dimensional hybrid materials and will aid in the design and manipulation of hybrid photoelectric devices for practical application in many fields.

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...

Charging of nonspherical macroparticles in a plasma

Science.gov (United States)

Holgate, J. T.; Coppins, M.

2016-03-01

The current theories of macroparticle charging in a plasma are limited to spheres, and are unsuitable for the multitude of nonspherical objects existing in astrophysical, atmospheric, laboratory, and fusion plasmas. This paper extends the most widely used spherical charging theory, orbit motion limited theory, to spheroids and, as such, provides a comprehensive study of the charging of nonspherical objects in a plasma. The spherical charging theory is shown to be a reasonable approximation for a considerable range of spheroids. However, the electric potential of highly elongated spheroids can be almost twice the spherical value. Furthermore, the total charge on the spheroids increases by a significantly larger factor than their potential.

Collective Dynamics and Strong Pinning near the Onset of Charge Order in La1.48Nd0.4Sr0.12CuO4

Science.gov (United States)

Baity, P. G.; Sasagawa, T.; Popović, Dragana

2018-04-01

The dynamics of charge-ordered states is one of the key issues in underdoped cuprate high-temperature superconductors, but static short-range charge-order (CO) domains have been detected in almost all cuprates. We probe the dynamics across the CO (and structural) transition in La1.48Nd0.4Sr0.12CuO4 by measuring nonequilibrium charge transport, or resistance R as the system responds to a change in temperature and to an applied magnetic field. We find evidence for metastable states, collective behavior, and criticality. The collective dynamics in the critical regime indicates strong pinning by disorder. Surprisingly, nonequilibrium effects, such as avalanches in R , are revealed only when the critical region is approached from the charge-ordered phase. Our results on La1.48Nd0.4Sr0.12CuO4 provide the long-sought evidence for the fluctuating order across the CO transition, and also set important constraints on theories of dynamic stripes.

Third-order QCD corrections to the charged-current structure function F{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Moch, S. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Vermaseren, J.A.M. [NIKHEF, Amsterdam (Netherlands); Vogt, A. [Liverpool Univ. (United Kingdom). Dept. of Mathematical Sciences

2008-12-15

We compute the coefficient function for the charge-averaged W{sup {+-}}-exchange structure function F{sub 3} in deep-inelastic scattering (DIS) to the third order in massless perturbative QCD. Our new three-loop contribution to this quantity forms, at not too small values of the Bjorken variable x, the dominant part of the next-to-next-to-next-to-leading order corrections. It thus facilitates improved determinations of the strong coupling {alpha}{sub s} and of 1/Q{sup 2} power corrections from scaling violations measured in neutrino-nucleon DIS. The expansion of F{sub 3} in powers of {alpha}{sub s} is stable at all values of x relevant to measurements at high scales Q{sup 2}. At small x the third-order coefficient function is dominated by diagrams with the colour structure d{sup abc}d{sub abc} not present at lower orders. At large x the coefficient function for F{sub 3} is identical to that of F{sub 1} up to terms vanishing for x{yields}1. (orig.)

Magnetic impurity effect on charge and magnetic order in doped La1.5Ca0.5CoO4

Science.gov (United States)

Horigane, K.; Hiraka, H.; Tomiyasu, K.; Ohoyama, K.; Louca, D.; Yamada, K.

2012-02-01

Neutron scattering experiments were performed on single crystals of magnetic impurity doped cobalt oxides La1.5Ca0.5CoO4 to characterize the charge and spin orders. We newly found contrasting impurity effects. Two types of magnetic peaks are observed at q = (0.5,0,L) with L = half-integer and integer in La1.5Ca0.5CoO4, while magnetic peak at L = half-integer (integer) was only observed in Mn (Fe)-substituted sample. Although Mn and Fe impurities degrade charge and magnetic order, Cr impurity stabilizes the ordering at x = 0.5. Based on the crystal structural analysis of Cr doped sample, we found that the excess oxygen and change of octahedron around Co3+ were realized in Cr doped sample.

Charge ordering, ferroelectric, and magnetic domains in LuFe{sub 2}O{sub 4} observed by scanning probe microscopy

Energy Technology Data Exchange (ETDEWEB)

Yang, I. K.; Jeong, Y. H., E-mail: yhj@postech.ac.kr [Department of Physics, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Kim, Jeehoon [Department of Physics, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); CALDES, Institute of Basic Science, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Lee, S. H. [YE Team, Samsung Electronics, 1 Samsungjeonja-Ro, Hwaseong 445-330 (Korea, Republic of); Cheong, S.-W. [Laboratory of Pohang Emergent Materials, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States)

2015-04-13

LuFe{sub 2}O{sub 4} is a multiferroic system which exhibits charge order, ferroelectricity, and ferrimagnetism simultaneously below ∼230 K. The ferroelectric/charge order domains of LuFe{sub 2}O{sub 4} are imaged with both piezoresponse force microscopy (PFM) and electrostatic force microscopy (EFM), while the magnetic domains are characterized by magnetic force microscopy (MFM). Comparison of PFM and EFM results suggests that the proposed ferroelectricity in LuFe{sub 2}O{sub 4} is not of usual displacive type but of electronic origin. Simultaneous characterization of ferroelectric/charge order and magnetic domains by EFM and MFM, respectively, on the same surface of LuFe{sub 2}O{sub 4} reveals that both domains have irregular patterns of similar shape, but the length scales are quite different. The domain size is approximately 100 nm for the ferroelectric domains, while the magnetic domain size is much larger and gets as large as 1 μm. We also demonstrate that the origin of the formation of irregular domains in LuFe{sub 2}O{sub 4} is not extrinsic but intrinsic.

Quasiparticle dynamics and spin-orbital texture of the SrTiO3 two-dimensional electron gas.

Science.gov (United States)

King, P D C; McKeown Walker, S; Tamai, A; de la Torre, A; Eknapakul, T; Buaphet, P; Mo, S-K; Meevasana, W; Bahramy, M S; Baumberger, F

2014-02-27

Two-dimensional electron gases (2DEGs) in SrTiO3 have become model systems for engineering emergent behaviour in complex transition metal oxides. Understanding the collective interactions that enable this, however, has thus far proved elusive. Here we demonstrate that angle-resolved photoemission can directly image the quasiparticle dynamics of the d-electron subband ladder of this complex-oxide 2DEG. Combined with realistic tight-binding supercell calculations, we uncover how quantum confinement and inversion symmetry breaking collectively tune the delicate interplay of charge, spin, orbital and lattice degrees of freedom in this system. We reveal how they lead to pronounced orbital ordering, mediate an orbitally enhanced Rashba splitting with complex subband-dependent spin-orbital textures and markedly change the character of electron-phonon coupling, co-operatively shaping the low-energy electronic structure of the 2DEG. Our results allow for a unified understanding of spectroscopic and transport measurements across different classes of SrTiO3-based 2DEGs, and yield new microscopic insights on their functional properties.

Vortex Laser based on III-V semiconductor metasurface: direct generation of coherent Laguerre-Gauss modes carrying controlled orbital angular momentum.

Science.gov (United States)

Seghilani, Mohamed S; Myara, Mikhael; Sellahi, Mohamed; Legratiet, Luc; Sagnes, Isabelle; Beaudoin, Grégoire; Lalanne, Philippe; Garnache, Arnaud

2016-12-05

The generation of a coherent state, supporting a large photon number, with controlled orbital-angular-momentum L = ħl (of charge l per photon) presents both fundamental and technological challenges: we demonstrate a surface-emitting laser, based on III-V semiconductor technology with an integrated metasurface, generating vortex-like coherent state in the Laguerre-Gauss basis. We use a first order phase perturbation to lift orbital degeneracy of wavefunctions, by introducing a weak anisotropy called here "orbital birefringence", based on a dielectric metasurface. The azimuthal symmetry breakdown and non-linear laser dynamics create "orbital gain dichroism" allowing selecting vortex handedness. This coherent photonic device was characterized and studied, experimentally and theoretically. It exhibits a low divergence (50 dB vortex purity), and single frequency operation in a stable low noise regime (0.1% rms). Such high performance laser opens the path to widespread new photonic applications.

Anomalous columnar order of charged colloidal platelets

Science.gov (United States)

Morales-Anda, L.; Wensink, H. H.; Galindo, A.; Gil-Villegas, A.

2012-01-01

Monte Carlo computer simulations are carried out for a model system of like-charged colloidal platelets in the isothermal-isobaric ensemble (NpT). The aim is to elucidate the role of electrostatic interactions on the structure of synthetic clay systems at high particle densities. Short-range repulsions between particles are described by a suitable hard-core model representing a discotic particle. This potential is supplemented with an electrostatic potential based on a Yukawa model for the screened Coulombic potential between infinitely thin disklike macro-ions. The particle aspect-ratio and electrostatic parameters were chosen to mimic an aqueous dispersion of thin, like-charged, rigid colloidal platelets at finite salt concentration. An examination of the fluid phase diagram reveals a marked shift in the isotropic-nematic transition compared to the hard cut-sphere reference system. Several statistical functions, such as the pair correlation function for the center-of-mass coordinates and structure factor, are obtained to characterize the structural organization of the platelets phases. At low salinity and high osmotic pressure we observe anomalous hexagonal columnar structures characterized by interpenetrating columns with a typical intercolumnar distance corresponding to about half of that of a regular columnar phase. Increasing the ionic strength leads to the formation of glassy, disordered structures consisting of compact clusters of platelets stacked into finite-sized columns. These so-called "nematic columnar" structures have been recently observed in systems of charge-stabilized gibbsite platelets. Our findings are corroborated by an analysis of the static structure factor from a simple density functional theory.

Theory of accelerated orbits and space charge effects in an AVF cyclotron

International Nuclear Information System (INIS)

Kleeven, W.J.G.M.

1988-01-01

In the first part of this thesis the influence of the accelerating electric field upon the motion of particles in a cyclotron is studied. A general relativistic Hamiltonian theory is derived which allows for a simultaneous study of the transverse and longitudinal motion as well as the coupling between both motions. It includes azimuthally varying magnetic fields and therefore describes phenomena which are due to the interfering influences of a given geometrical dee system with the azimuthally varying part of the magnetic field. As an example the electric gap crossing resonance is treated. The second part deals with space charge effects in a AVF cyclotron. The properties of the bunch, like the sizes, emittances and momentum spread, are represented in terms of second order moments of the phase space distribution function, and two sets of differential equations are derived which describe the time evolution of these moments under space charge conditions. The model takes into account the coupling between the longitudinal and radial motion, and the fact that the revolution frequency of the particles is independent of their energy. The analytical models developed can be applied to a given cyclotron by adopting the relevant parameters. Some calculations are presented for the small 3 MeV Iscochroneous Low Energy Cyclotron ILEC which is presently under construction at the Eindhoven University. Also some attention to the construction of this machine is given. (H.W.). 49 refs.; 37 figs

QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals

Directory of Open Access Journals (Sweden)

Eduardo A. Castro

2004-12-01

Full Text Available We report the results of a calculation of the normal boiling points of a representative set of 200 organic molecules through the application of QSPR theory. For this purpose we have used a particular set of flexible molecular descriptors, the so called Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals. Although in general the results show suitable behavior to predict this physical chemistry property, the existence of some deviant behaviors points to a need to complement this index with some other sort of molecular descriptors. Some possible extensions of this study are discussed.

Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

Science.gov (United States)

Chen, Zhenhua; Hoffmann, Mark R

2012-07-07

A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4

Nearest-neighbor Kitaev exchange blocked by charge order in electron-doped α -RuCl3

Science.gov (United States)

Koitzsch, A.; Habenicht, C.; Müller, E.; Knupfer, M.; Büchner, B.; Kretschmer, S.; Richter, M.; van den Brink, J.; Börrnert, F.; Nowak, D.; Isaeva, A.; Doert, Th.

2017-10-01

A quantum spin liquid might be realized in α -RuCl3 , a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, α -RuCl3 is a Mott insulator, which implies the possibility that novel exotic phases occur upon doping. Here, we study the electronic structure of this material when intercalated with potassium by photoemission spectroscopy, electron energy loss spectroscopy, and density functional theory calculations. We obtain a stable stoichiometry at K0.5RuCl3 . This gives rise to a peculiar charge disproportionation into formally Ru2 + (4 d6 ) and Ru3 + (4 d5 ). Every Ru 4 d5 site with one hole in the t2 g shell is surrounded by nearest neighbors of 4 d6 character, where the t2 g level is full and magnetically inert. Thus, each type of Ru site forms a triangular lattice, and nearest-neighbor interactions of the original honeycomb are blocked.

Next-to-next-to-leading order gravitational spin-orbit coupling via the effective field theory for spinning objects in the post-Newtonian scheme

Energy Technology Data Exchange (ETDEWEB)

Levi, Michele [Université Pierre et Marie Curie, CNRS-UMR 7095, Institut d' Astrophysique de Paris, 98 bis Boulevard Arago, 75014 Paris (France); Steinhoff, Jan, E-mail: michele.levi@upmc.fr, E-mail: jan.steinhoff@aei.mpg.de [Max-Planck-Institute for Gravitational Physics (Albert-Einstein-Institute), Am Mühlenberg 1, 14476 Potsdam-Golm (Germany)

2016-01-01

We implement the effective field theory for gravitating spinning objects in the post-Newtonian scheme at the next-to-next-to-leading order level to derive the gravitational spin-orbit interaction potential at the third and a half post-Newtonian order for rapidly rotating compact objects. From the next-to-next-to-leading order interaction potential, which we obtain here in a Lagrangian form for the first time, we derive straightforwardly the corresponding Hamiltonian. The spin-orbit sector constitutes the most elaborate spin dependent sector at each order, and accordingly we encounter a proliferation of the relevant Feynman diagrams, and a significant increase of the computational complexity. We present in detail the evaluation of the interaction potential, going over all contributing Feynman diagrams. The computation is carried out in terms of the ''nonrelativistic gravitational'' fields, which are advantageous also in spin dependent sectors, together with the various gauge choices included in the effective field theory for gravitating spinning objects, which also optimize the calculation. In addition, we automatize the effective field theory computations, and carry out the automated computations in parallel. Such automated effective field theory computations would be most useful to obtain higher order post-Newtonian corrections. We compare our Hamiltonian to the ADM Hamiltonian, and arrive at a complete agreement between the ADM and effective field theory results. Finally, we provide Hamiltonians in the center of mass frame, and complete gauge invariant relations among the binding energy, angular momentum, and orbital frequency of an inspiralling binary with generic compact spinning components to third and a half post-Newtonian order. The derivation presented here is essential to obtain further higher order post-Newtonian corrections, and to reach the accuracy level required for the successful detection of gravitational radiation.

Accelerated simulation of near-Earth-orbit polymer degradation

Science.gov (United States)

Laue, Eric

1992-01-01

There is a need to simulate the near-Earth-orbit environmental conditions, and it is useful to be able to monitor the changes in physical properties of spacecraft materials. Two different methods for simulating the vacuum-ultraviolet (VUV) and soft X-ray near-Earth-orbit flux are presented. Also, methods for monitoring the changes in optical ultraviolet transmission and mass loss are presented. The results of exposures to VUV photons and charged particles on these materials are discussed.

Research of Charging(Discharging Orderly and Optimizing Load Curve for Electric Vehicles Based on Dynamic Electric Price and V2G

Directory of Open Access Journals (Sweden)

Yang Shuai

2016-01-01

Full Text Available Firstly, using the Monte Carlo method and simulation analysis, this paper builds models for the behaviour of electric vehicles, the conventional charging model and the fast charging model. Secondly, this paper studies the impact that the number of electric vehicles which get access to power grid has on the daily load curve. Then, the paper put forwards a dynamic pricing mechanism of electricity, and studies how this dynamic pricing mechanism guides the electric vehicles to charge orderly. Last but not the least, the paper presents a V2G mechanism. Under this mechanism, electric vehicles can charge orderly and take part in the peak shaving. Research finds that massive electric vehicles’ access to the power grid will increase the peak-valley difference of daily load curve. Dynamic pricing mechanism and V2G mechanism can effectively lead the electric vehicles to take part in peak-shaving, and optimize the daily load curve.

Isospin dependence of the spin-orbit splitting in nuclei

International Nuclear Information System (INIS)

Isakov, V.I.

2007-01-01

The analysis has been made of experimental data on level spectra, single-nucleon transfer reactions near closed shells, and data on polarization effects in charge-exchange (p, n) reactions between isoanalogous states of nuclei with even A. It is concluded that there is a significant difference between the spin-orbit splittings of neutrons and protons in identical orbitals. This conclusion is confirmed in the frame work of different theoretical approaches [ru

A parity-breaking electronic nematic phase transition in the spin-orbit coupled correlated metal Cd2Re2O7

Science.gov (United States)

Harter, J. W.; Zhao, Z. Y.; Yan, J.-Q.; Mandrus, D. G.; Hsieh, D.

Strong interactions between electrons are known to drive metallic systems toward a variety of well-known symmetry-broken phases, including superconducting, electronic liquid crystalline, and charge- and spin-density wave ordered states. In contrast, the electronic instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncover a novel multipolar nematic phase of matter in the metallic pyrochlore Cd2Re2O7 using spatially-resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic liquid crystalline phases, this multipolar nematic phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of the multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 K in Cd2Re2O7 and induces a parity-breaking lattice distortion as a secondary order parameter.

Methodology and Data Sources for Assessing Extreme Charging Events within the Earth's Magnetosphere

Science.gov (United States)

Parker, L. N.; Minow, J. I.; Talaat, E. R.

2016-12-01

Spacecraft surface and internal charging is a potential threat to space technologies because electrostatic discharges on, or within, charged spacecraft materials can result in a number of adverse impacts to spacecraft systems. The Space Weather Action Plan (SWAP) ionizing radiation benchmark team recognized that spacecraft charging will need to be considered to complete the ionizing radiation benchmarks in order to evaluate the threat of charging to critical space infrastructure operating within the near-Earth ionizing radiation environments. However, the team chose to defer work on the lower energy charging environments and focus the initial benchmark efforts on the higher energy galactic cosmic ray, solar energetic particle, and trapped radiation belt particle environments of concern for radiation dose and single event effects in humans and hardware. Therefore, an initial set of 1 in 100 year spacecraft charging environment benchmarks remains to be defined to meet the SWAP goals. This presentation will discuss the available data sources and a methodology to assess the 1 in 100 year extreme space weather events that drive surface and internal charging threats to spacecraft. Environments to be considered are the hot plasmas in the outer magnetosphere during geomagnetic storms, relativistic electrons in the outer radiation belt, and energetic auroral electrons in low Earth orbit at high latitudes.

Influence of the Choice of Lunar Gravity Model on Orbit Determination for Lunar Orbiters

Directory of Open Access Journals (Sweden)

Young-Rok Kim

2018-01-01

Full Text Available We examine the influence of the lunar gravity model on the orbit determination (OD of a lunar orbiter operating in a 100 km high, lunar polar orbit. Doppler and sequential range measurements by three Deep Space Network antennas and one Korea Deep Space Antenna were used. For measurement simulation and OD analysis, STK11 and ODTK6 were utilized. GLGM2, LP100K, LP150Q, GRAIL420A, and GRAIL660B were used for investigation of lunar gravity model selection effect. OD results were assessed by position and velocity uncertainties with error covariance and an external orbit comparison using simulated true orbit. The effect of the lunar gravity models on the long-term OD, degree and order level, measurement-acquisition condition, and lunar altitude was investigated. For efficiency verification, computational times for the five lunar gravity models were compared. Results showed that significant improvements to OD accuracy are observed by applying a GRAIL-based model; however, applying a full order and degree gravity modeling is not always the best strategy, owing to the computational burden. Consequently, we consider that OD using GRAIL660B with 70 × 70 degree and order is the most efficient strategy for mission preanalysis. This study provides useful guideline for KPLO OD analysis during nominal mission operation.

Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

OpenAIRE

Cooper, D. L.; Stancil, P. C.; Turner, A. R.; Wang, J. G.; Clarke, N. J.; Zygelman, B.

2002-01-01

A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total...

Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

Science.gov (United States)

Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

2008-05-07

In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5(') (4H,4H('))-spirobi[ciclopenta[c]pyrrole] 2,2('),6,6(') tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital

Charge-transport simulations in organic semiconductors

Energy Technology Data Exchange (ETDEWEB)

May, Falk

2012-07-06

In this thesis we have extended the methods for microscopic charge-transport simulations for organic semiconductors, where weak intermolecular interactions lead to spatially localized charge carriers, and the charge transport occurs as an activated hopping process between diabatic states. In addition to weak electronic couplings between these states, different electrostatic environments in the organic material lead to a broadening of the density of states for the charge energies which limits carrier mobilities. The contributions to the method development include (i) the derivation of a bimolecular charge-transfer rate, (ii) the efficient evaluation of intermolecular (outer-sphere) reorganization energies, (iii) the investigation of effects of conformational disorder on intramolecular reorganization energies or internal site energies and (iv) the inclusion of self-consistent polarization interactions for calculation of charge energies. These methods were applied to study charge transport in amorphous phases of small molecules used in the emission layer of organic light emitting diodes (OLED). When bulky substituents are attached to an aromatic core in order to adjust energy levels or prevent crystallization, a small amount of delocalization of the frontier orbital to the substituents can increase electronic couplings between neighboring molecules. This leads to improved charge-transfer rates and, hence, larger charge-mobility. We therefore suggest using the mesomeric effect (as opposed to the inductive effect) when attaching substituents to aromatic cores, which is necessary for example in deep blue OLEDs, where the energy levels of a host molecule have to be adjusted to those of the emitter. Furthermore, the energy landscape for charges in an amorphous phase cannot be predicted by mesoscopic models because they approximate the realistic morphology by a lattice and represent molecular charge distributions in a multipole expansion. The microscopic approach shows that

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

Science.gov (United States)

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

2015-03-01

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

Atomic charges of sulfur in ionic liquids: experiments and calculations.

Science.gov (United States)

Fogarty, Richard M; Rowe, Rebecca; Matthews, Richard P; Clough, Matthew T; Ashworth, Claire R; Brandt, Agnieszka; Corbett, Paul J; Palgrave, Robert G; Smith, Emily F; Bourne, Richard A; Chamberlain, Thomas W; Thompson, Paul B J; Hunt, Patricia A; Lovelock, Kevin R J

2017-12-14

Experimental near edge X-ray absorption fine structure (NEXAFS) spectra, X-ray photoelectron (XP) spectra and Auger electron spectra are reported for sulfur in ionic liquids (ILs) with a range of chemical structures. These values provide experimental measures of the atomic charge in each IL and enable the evaluation of the suitability of NEXAFS spectroscopy and XPS for probing the relative atomic charge of sulfur. In addition, we use Auger electron spectroscopy to show that when XPS binding energies differ by less than 0.5 eV, conclusions on atomic charge should be treated with caution. Our experimental data provides a benchmark for calculations of the atomic charge of sulfur obtained using different methods. Atomic charges were computed for lone ions and ion pairs, both in the gas phase (GP) and in a solvation model (SMD), with a wide range of ion pair conformers considered. Three methods were used to compute the atomic charges: charges from the electrostatic potential using a grid based method (ChelpG), natural bond orbital (NBO) population analysis and Bader's atoms in molecules (AIM) approach. By comparing the experimental and calculated measures of the atomic charge of sulfur, we provide an order for the sulfur atoms, ranging from the most negative to the most positive atomic charge. Furthermore, we show that both ChelpG and NBO are reasonable methods for calculating the atomic charge of sulfur in ILs, based on the agreement with both the XPS and NEXAFS spectroscopy results. However, the atomic charges of sulfur derived from ChelpG are found to display significant, non-physical conformational dependence. Only small differences in individual atomic charge of sulfur were observed between lone ion (GP) and ion pair IL(SMD) model systems, indicating that ion-ion interactions do not strongly influence individual atomic charges.

Stationary D = 4 black holes in supergravity: The issue of real nilpotent orbits

Energy Technology Data Exchange (ETDEWEB)

Ruggeri, Daniele [Universita di Torino, Dipartimento di Fisica (Italy); INFN, Torino (Italy); Trigiante, Mario [Universita di Torino, Dipartimento di Fisica (Italy); DISAT, Politecnico di Torino (Italy); INFN, Torino (Italy)

2017-05-15

The complete classification of the nilpotent orbits of SO(2,2){sup 2} in the representation (2,2,2,2), achieved in [14], is applied to the study of multi-center, asymptotically flat, extremal black hole solutions to the STU model. These real orbits provide an intrinsic characterization of regular single-center solutions, which is invariant with respect to the action of the global symmetry group SO(4,4), underlying the stationary solutions of the model, and provide stringent regularity constraints on multi-centered solutions. The known almost-BPS and composite non-BPS solutions are revisited in this setting. We systematically provide, for the relevant SO(2,2){sup 2}-nilpotent orbits of the global Noether charge matrix, regular representatives thereof. This analysis unveils a composition law of the orbits according to which those containing regular multi-centered solutions can be obtained as combinations of specific single-center orbits defining the constituent black holes. Some of the SO(2,2){sup 2}-orbits of the total Noether charge matrix are characterized as ''intrinsically singular'' in that they cannot contain any regular solution. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The cosmic ray actinide charge spectrum derived from a 10 m2 array of solid state nuclear track detectors in Earth orbit

International Nuclear Information System (INIS)

Donnelly, J.; Thompson, A.; O'Sullivan, D.; Drury, L.O'C.; Wenzel, K.-P.

2001-01-01

The DIAS-ESTEC Ultra Heavy Cosmic Ray Experiment (UHCRE) on the Long Duration Exposure Facility, collected approximately 3000 cosmic ray nuclei with Z>65 in the energy region E>1.5 GeV nucleon -1 during a six year exposure in Earth orbit. The entire accessible collecting area of the solid state nuclear track detector (SSNTD) array has been scanned for actinides, yielding a sample of 30 from an exposure of ∼150 m 2 sr yr. The UHCRE experimental setup is described and the observed charge spectrum presented. The current best value for the cosmic ray actinide relative abundance, (Z>88)/(74≤Z≤87), is reported

Conformation sensitive charge transport in conjugated polymers

International Nuclear Information System (INIS)

Mattias Andersson, L.; Hedström, Svante; Persson, Petter

2013-01-01

Temperature dependent charge carrier mobility measurements using field effect transistors and density functional theory calculations are combined to show how the conformation dependent frontier orbital delocalization influences the hole- and electron mobilities in a donor-acceptor based polymer. A conformationally sensitive lowest unoccupied molecular orbital results in an electron mobility that decreases with increasing temperature above room temperature, while a conformationally stable highest occupied molecular orbital is consistent with a conventional hole mobility behavior and also proposed to be one of the reasons for why the material works well as a hole transporter in amorphous bulk heterojunction solar cells

Surface charges for gravity and electromagnetism in the first order formalism

Science.gov (United States)

Frodden, Ernesto; Hidalgo, Diego

2018-02-01

A new derivation of surface charges for 3  +  1 gravity coupled to electromagnetism is obtained. Gravity theory is written in the tetrad-connection variables. The general derivation starts from the Lagrangian, and uses the covariant symplectic formalism in the language of forms. For gauge theories, surface charges disentangle physical from gauge symmetries through the use of Noether identities and the exactness symmetry condition. The surface charges are quasilocal, explicitly coordinate independent, gauge invariant and background independent. For a black hole family solution, the surface charge conservation implies the first law of black hole mechanics. As a check, we show the first law for an electrically charged, rotating black hole with an asymptotically constant curvature (the Kerr–Newman (anti-)de Sitter family). The charges, including the would-be mass term appearing in the first law, are quasilocal. No reference to the asymptotic structure of the spacetime nor the boundary conditions is required and therefore topological terms do not play a rôle. Finally, surface charge formulae for Lovelock gravity coupled to electromagnetism are exhibited, generalizing the one derived in a recent work by Barnich et al Proc. Workshop ‘ About Various Kinds of Interactions’ in honour of Philippe Spindel (4–5 June 2015, Mons, Belgium) C15-06-04 (2016 (arXiv:1611.01777 [gr-qc])). The two different symplectic methods to define surface charges are compared and shown equivalent.

Coexistence of charge order and antiferromagnetism in (TMTTF){sub 2}SbF{sub 6}: NMR study

Energy Technology Data Exchange (ETDEWEB)

Nomura, K., E-mail: knmr@phys.sci.hokudai.ac.jp; Yamamoto, M.; Matsunaga, N.; Hirose, S.; Shimohara, N.; Satoh, T.; Isome, T.; Liu, Y.; Kawamoto, A.

2015-03-01

The electronic state of (TMTTF){sub 2}SbF{sub 6} was investigated by the {sup 1}H and {sup 13}C NMR measurements. The temperature dependence of T{sub 1}{sup −1} in {sup 1}H NMR shows a sharp peak associated with the antiferromagnetic transition at T{sub AF}=6 K. The temperature dependence of T{sub 1}{sup −1} is described by the power law T{sup 2.4} below T{sub AF}. This suggests the nodal gapless spin wave excitation in antiferromagnetic phase. In {sup 13}C NMR, two sharp peaks at high temperature region, associated with the inner and the outer carbon sites in TMTTF dimer, split into four peaks below 150 K. It indicates that the charge disproportionation occurs. The degree of charge disproportionation Δρ is estimated as (0.25±0.09)e from the chemical shift difference. This value of Δρ is consistent with that obtained from the infrared spectroscopy. In the antiferromagnetic state (AFI), the observed line shape is well fitted by eight Lorentzian peaks. This suggests that the charge order with the same degree still remains in the AF state. From the line assignment, the AF staggered spin amplitude is obtained as 0.70 μ{sub B} and 0.24 μ{sub B} at the charge rich and the poor sites, respectively. These values corresponding to almost 1 μ{sub B} per dimer are quite different from 0.11 μ{sub B} of another AF (AFII) state in (TMTTF){sub 2}Br with effective higher pressure. As a result, it is understood that the antiferromagnetic staggered spin order is stabilized on the CO state in the AFI phase of (TMTTF){sub 2}SbF{sub 6}.

GOC: General Orbit Code

International Nuclear Information System (INIS)

Maddox, L.B.; McNeilly, G.S.

1979-08-01

GOC (General Orbit Code) is a versatile program which will perform a variety of calculations relevant to isochronous cyclotron design studies. In addition to the usual calculations of interest (e.g., equilibrium and accelerated orbits, focusing frequencies, field isochronization, etc.), GOC has a number of options to calculate injections with a charge change. GOC provides both printed and plotted output, and will follow groups of particles to allow determination of finite-beam properties. An interactive PDP-10 program called GIP, which prepares input data for GOC, is available. GIP is a very easy and convenient way to prepare complicated input data for GOC. Enclosed with this report are several microfiche containing source listings of GOC and other related routines and the printed output from a multiple-option GOC run

Charge order-superfluidity transition in a two-dimensional system of hard-core bosons and emerging domain structures

Science.gov (United States)

Moskvin, A. S.; Panov, Yu. D.; Rybakov, F. N.; Borisov, A. B.

2017-11-01

We have used high-performance parallel computations by NVIDIA graphics cards applying the method of nonlinear conjugate gradients and Monte Carlo method to observe directly the developing ground state configuration of a two-dimensional hard-core boson system with decrease in temperature, and its evolution with deviation from a half-filling. This has allowed us to explore unconventional features of a charge order—superfluidity phase transition, specifically, formation of an irregular domain structure, emergence of a filamentary superfluid structure that condenses within of the charge-ordered phase domain antiphase boundaries, and formation and evolution of various topological structures.

Full particle orbit effects in regular and stochastic magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Shun, E-mail: shun.ogawa@cpt.univ-mrs.fr [Aix Marseille Univ., Univ. Toulon, CNRS, CPT, Marseille (France); CEA, IRFM, F-13108 St. Paul-lez-Durance Cedex (France); Cambon, Benjamin; Leoncini, Xavier; Vittot, Michel [Aix Marseille Univ., Univ. Toulon, CNRS, CPT, Marseille (France); Castillo-Negrete, Diego del [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6169 (United States); Dif-Pradalier, Guilhem; Garbet, Xavier [CEA, IRFM, F-13108 St. Paul-lez-Durance Cedex (France)

2016-07-15

We present a numerical study of charged particle motion in a time-independent magnetic field in cylindrical geometry. The magnetic field model consists of an unperturbed reversed-shear (non-monotonic q-profile) helical part and a perturbation consisting of a superposition of modes. Contrary to most of the previous studies, the particle trajectories are computed by directly solving the full Lorentz force equations of motion in a six-dimensional phase space using a sixth-order, implicit, symplectic Gauss-Legendre method. The level of stochasticity in the particle orbits is diagnosed using averaged, effective Poincare sections. It is shown that when only one mode is present, the particle orbits can be stochastic even though the magnetic field line orbits are not stochastic (i.e., fully integrable). The lack of integrability of the particle orbits in this case is related to separatrix crossing and the breakdown of the global conservation of the magnetic moment. Some perturbation consisting of two modes creates resonance overlapping, leading to Hamiltonian chaos in magnetic field lines. Then, the particle orbits exhibit a nontrivial dynamics depending on their energy and pitch angle. It is shown that the regions where the particle motion is stochastic decrease as the energy increases. The non-monotonicity of the q-profile implies the existence of magnetic ITBs (internal transport barriers) which correspond to shearless flux surfaces located in the vicinity of the q-profile minimum. It is shown that depending on the energy, these magnetic ITBs might or might not confine particles. That is, magnetic ITBs act as an energy-dependent particle confinement filter. Magnetic field lines in reversed-shear configurations exhibit topological bifurcations (from homoclinic to heteroclinic) due to separatrix reconnection. We show that a similar but more complex scenario appears in the case of particle orbits that depend in a non-trivial way on the energy and pitch angle of the

Pressure-temperature phase diagram of a charge-ordered organic conductor studied by C13 NMR

Science.gov (United States)

Itou, T.; Miyagawa, K.; Nakamura, J.; Kanoda, K.; Hiraki, K.; Takahashi, T.

2014-07-01

We performed C13 NMR measurements on the quasi-one-dimensional (Q1D) charge-ordered system (DI-DCNQI)2Ag under ambient and applied pressure to clarify the pressure-temperature phase diagram. For pressures up to 15 kbar, the NMR spectra exhibit complicated splitting at low temperatures, indicating a "generalized 3D Wigner crystal" state. In this pressure region, we find that increased pressure causes a decrease in the charge disproportionation ratio, along with a decrease in the transition temperature of the generalized 3D Wigner crystal. In the high-pressure region, near 20 kbar, where a 1D confined liquid crosses over to a 3D Fermi liquid at high temperatures, the ground state is replaced by a nonmagnetic insulating state that is qualitatively different from the generalized 3D Wigner crystal.

The effect of J2 on equatorial and halo orbits around a magnetic planet

International Nuclear Information System (INIS)

Inarrea, Manuel; Lanchares, Victor; Palacian, Jesus F.; Pascual, Ana I.; Pablo Salas, J.; Yanguas, Patricia

2009-01-01

We calculate equatorial and halo orbits around a non-spherical (both oblate and prolate) magnetic planet. It is known that circular equatorial and halo orbits exist for a dust grain orbiting a spherical magnetic planet. However, the frequency of the orbit is constrained by the charge-mass ratio of the particle. If the non-sphericity of the planet is taken into account this constraint is modified or, in some cases, it disappears.

Analysis and development of fourth order LCLC resonant based capacitor charging power supply for pulse power applications.

Science.gov (United States)

Naresh, P; Hitesh, C; Patel, A; Kolge, T; Sharma, Archana; Mittal, K C

2013-08-01

A fourth order (LCLC) resonant converter based capacitor charging power supply (CCPS) is designed and developed for pulse power applications. Resonant converters are preferred t utilize soft switching techniques such as zero current switching (ZCS) and zero voltage switching (ZVS). An attempt has been made to overcome the disadvantages in 2nd and 3rd resonant converter topologies; hence a fourth order resonant topology is used in this paper for CCPS application. In this paper a novel fourth order LCLC based resonant converter has been explored and mathematical analysis carried out to calculate load independent constant current. This topology provides load independent constant current at switching frequency (fs) equal to resonant frequency (fr). By changing switching condition (on time and dead time) this topology has both soft switching techniques such as ZCS and ZVS for better switching action to improve the converter efficiency. This novel technique has special features such as low peak current through switches, DC blocking for transformer, utilizing transformer leakage inductance as resonant component. A prototype has been developed and tested successfully to charge a 100 μF capacitor to 200 V.

Charged dust in saturn's magnetosphere

International Nuclear Information System (INIS)

Mendis, D.A.; Hill, J.R.; Houpis, H.L.F.

1983-01-01

Gravito-electrodynamic theory of charged dust grains is used to explain a variety of phenomena in those portions of the Saturnian ring system that are known to be dominated by fine (micron- and submicron-sized) dust, and in which collisional forces and Coulomb drag can be neglected. Among the phenomena discussed are the formation and evolution of the rotating near-radial spokes in the B-ring, the formation of waves in the F-ring, the cause of eccentricities of certain isolated ringlets, and the origin and morphology of the broad diffuse E-ring. Several novel processes predicted by the gravitoelectrodynamic theory, including 'magneto-gravitational capture' of exogenic dust by the magnetosphere, '1:1 magneto-gravitational orbital resonances' of charged dust with nearby satellites, and 'gyro-orbital resonances,' are used to explain individual observations. The effect of a ring current associated with this charged dust is also evaluated. Finally, the cosmogonic implications of the magneto-gravitational theory are briefly discussed. While several (although not all) of these processes have been discussed by one or more of the present authors elsewhere, the purpose of this paper is to synthesize all these processes within the framework of gravito-electrodynamics, and also to show its range of applicability within Saturn's ring system

Spacecraft Charging Modeling -- Nascap-2k 2014 Annual Report

Science.gov (United States)

2014-09-19

appears to work similarly in Internet Explorer, FireFox , and Opera, but fails in Safari and Chrome. Note that the SEE Spacecraft Charging Handbook is... Characteristics of Spacecraft Charging in Low Earth Orbit, J Geophys Res. 11 7, doi: 10.1029/20 11JA016875, 2012. 2 M. Cho, K. Saito, T. Hamanaga, Data

Motions in the relativistic fields of a charged dust

International Nuclear Information System (INIS)

Fonseca Teixeira, A.F. da.

1980-04-01

The general relativistic motion of arbitrarily charged test particles is investigated, in the spherically symmetric fields of a charged, static, incoherent matter with T 0 0 = const. The condition for existence of stable circular orbits is established, inside and outside the diffused source. The null geodesics are also investigated, as a limiting case. (Author) [pt

Generation of high-order Bessel vortex beam carrying orbital angular momentum using multilayer amplitude-phase-modulated surfaces in radiofrequency domain

Science.gov (United States)

Kou, Na; Yu, Shixing; Li, Long

2017-01-01

A high-order Bessel vortex beam carrying orbital angular momentum (OAM) is generated by using multilayer amplitude-phase-modulated surfaces (APMSs) at 10 GHz. The APMS transmitarray is composed of four-layer conformal square-loop (FCSL) surfaces with both amplitude and phase modulation. The APMS can transform a quasi-spherical wave emitted from the feeding source into a pseudo non-diffractive high-order Bessel vortex beam with OAM. The APMS for a second-order Bessel beam carrying OAM in the n = 2 mode is designed, fabricated, and measured. Full-wave simulation and measurement results confirm that Bessel vortex beams with OAM can be effectively generated using the proposed APMS transmitarray.

Innermost stable circular orbit of spinning particle in charged spinning black hole background

Science.gov (United States)

Zhang, Yu-Peng; Wei, Shao-Wen; Guo, Wen-Di; Sui, Tao-Tao; Liu, Yu-Xiao

2018-04-01

In this paper we investigate the innermost stable circular orbit (ISCO) (spin-aligned or anti-aligned orbit) for a classical spinning test particle with the pole-dipole approximation in the background of Kerr-Newman black hole in the equatorial plane. It is shown that the orbit of the spinning particle is related to the spin of the test particle. The motion of the spinning test particle will be superluminal if its spin is too large. We give an additional condition by considering the superluminal constraint for the ISCO in the black hole backgrounds. We obtain numerically the relations between the ISCO and the properties of the black holes and the test particle. It is found that the radius of the ISCO for a spinning test particle is smaller than that of a nonspinning test particle in the black hole backgrounds.

Charged rotating black holes on a 3-brane

International Nuclear Information System (INIS)

Aliev, A.N.; Guemruekcueoglu, A.E.

2005-01-01

We study exact stationary and axisymmetric solutions describing charged rotating black holes localized on a 3-brane in the Randall-Sundrum braneworld. The charges of the black holes are considered to be of two types, the first being an induced tidal charge that appears as an imprint of nonlocal gravitational effects from the bulk space and the second is a usual electric charge arising due to a Maxwell field trapped on the brane. We assume a special ansatz for the metric on the brane taking it to be of the Kerr-Schild form and show that the Kerr-Newman solution of ordinary general relativity in which the electric charge is superseded by a tidal charge satisfies a closed system of the effective gravitational field equations on the brane. It turns out that the negative tidal charge may provide a mechanism for spinning up the black hole so that its rotation parameter exceeds its mass. This is not allowed in the framework of general relativity. We also find a new solution that represents a rotating black hole on the brane carrying both charges. We show that for a rapid enough rotation the combined influence of the rotational dynamics and the local bulk effects of the 'squared' energy-momentum tensor on the brane distort the horizon structure of the black hole in such a way that it can be thought of as composed of nonuniformly rotating null circles with growing radii from the equatorial plane to the poles. We finally study the geodesic motion of test particles in the equatorial plane of a rotating black hole with tidal charge. We show that the effects of negative tidal charge tend to increase the horizon radius, as well as the radii of the limiting photon orbit, the innermost bound and the innermost stable circular orbits for both direct and retrograde motions of the particles

Ultrasonic study of the charge mismatch effect in charge-ordered (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Jiang Liang; Su Jinrui; Kong Hui; Liu Yi; Zheng Shiyuan; Zhu Changfei [Laboratory of Advanced Functional Materials and Devices, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China)

2006-09-20

The resistivity, magnetization and ultrasonic properties of charge-ordered polycrystalline (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3} have been investigated from 50 to 300 K. A considerable velocity softening accompanied by an attenuation peak was observed around the charge-ordering transition temperature (T{sub CO}) upon cooling. The simultaneous occurrence of the charge ordering (CO) and the ultrasonic anomaly implies strong electron-phonon coupling, which originates from the cooperative Jahn-Teller effect. At very low temperature, another broad attenuation peak was observed, which is attributed to the phase separation (PS) and gives a direct evidence of spin-phonon coupling in the compound. With increasing x, T{sub CO} shifts to lower temperature, the magnetization of the system is strengthened and the PS is enhanced. The temperature dependence of the longitudinal modulus shows that the Jahn-Teller coupling energy E{sub JT} decreases with increasing Na content. The analysis suggests that the charge mismatch effect may be the main reason for the suppression of the CO and enhancement of the PS.

Tunability of Open-Shell Character, Charge Asymmetry, and Third-Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers.

Science.gov (United States)

Minamida, Yuka; Kishi, Ryohei; Fukuda, Kotaro; Matsui, Hiroshi; Takamuku, Shota; Yamane, Masaki; Tonami, Takayoshi; Nakano, Masayoshi

2018-02-06

Tunability of the open-shell character, charge asymmetry, and third-order nonlinear optical (NLO) properties of covalently linked (hetero)phenalenyl dimers are investigated by using the density functional theory method. By changing the molecular species X and substitution position (i, j) for the linker part, a variety of intermonomer distances R and relative alignments between the phenalenyl dimers can be realized from the geometry optimizations, resulting in a wide-range tuning of diradical character y and charge asymmetry. It is found that the static second hyperpolarizabilities along the stacking direction, γ yyyy , are one-order enhanced for phenalenyl dimer systems exhibiting intermediate y, a feature that is in good agreement with the "y-γ correlation". By replacing the central carbon atoms of the phenalenyl rings with a boron or a nitrogen, we have also designed covalently linked heterophenalenyl dimers. The introduction of such a charge asymmetry to the open-shell systems, which leads to closed-shell ionic ground states, is found to further enhance the γ yyyy values of the systems having longer intermonomer distance R with intermediate ionic character, that is, charge asymmetry. The present results demonstrate a promising potential of covalently linked NLO dimers with intermediate open-shell/ionic characters as a new building block of highly efficient NLO systems. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Study of Single- and Double-Averaged Second-Order Models to Evaluate Third-Body Perturbation Considering Elliptic Orbits for the Perturbing Body

Directory of Open Access Journals (Sweden)

R. C. Domingos

2013-01-01

Full Text Available The equations for the variations of the Keplerian elements of the orbit of a spacecraft perturbed by a third body are developed using a single average over the motion of the spacecraft, considering an elliptic orbit for the disturbing body. A comparison is made between this approach and the more used double averaged technique, as well as with the full elliptic restricted three-body problem. The disturbing function is expanded in Legendre polynomials up to the second order in both cases. The equations of motion are obtained from the planetary equations, and several numerical simulations are made to show the evolution of the orbit of the spacecraft. Some characteristics known from the circular perturbing body are studied: circular, elliptic equatorial, and frozen orbits. Different initial eccentricities for the perturbed body are considered, since the effect of this variable is one of the goals of the present study. The results show the impact of this parameter as well as the differences between both models compared to the full elliptic restricted three-body problem. Regions below, near, and above the critical angle of the third-body perturbation are considered, as well as different altitudes for the orbit of the spacecraft.

Transport and ordering of polarons in CER manganites PrCaMnO

International Nuclear Information System (INIS)

Schramm, S; Hoffmann, J; Jooss, Ch

2008-01-01

The temperature-dependent resistivity and the colossal resistance effect induced by strong electric fields of the small-band Pr 1-x Ca x MnO 3 (PCMO) manganites are analysed with respect to the influence of the Ca doping, post-annealing, the prehistory of the electric stimulation, and the physical dimensions of the sample. Despite the phase separation between charge and orbital ordered and disordered phases, PCMO reveals the properties of a homogeneous medium with a conductivity governed by the hopping of small polarons if the electric field is not too strong. In contrast, high electric fields induce a structural transition which gives rise to a glassy behaviour in the transient regime. In the low resistance state the small activation energy of charge carrier hopping implies a transition to large polaron hopping

A data processing unit (DPU) for a satellite-borne charge composition experiment

International Nuclear Information System (INIS)

Koga, R.; Blake, J.B.; Chenette, D.L.; Fennell, J.F.; Imamoto, S.S.; Katz, N.; King, C.G.

1985-01-01

A data processing unit (DPU) for use with a charge composition experiment to be flown aboard the VIKING auroral research satellite is described. The function of this experiment is to measure the mass, charge state, energy, and pitch-angle distribution of ions in the earth's high-altitude magnetosphere in the energy range from 50 keV/q to 300 keV/q. In order to be compatible with the spacecraft telemetry limitations, raw sensor data are processed in the DPU using on-board composition analysis and the scalar compression. The design of this DPU is such that it can be readily adapted to a variety of space composition experiments. Special attention was given to the effect of the radiation environment on orbit since a microprocessor and a relatively large number of random access memories (RAMs) comprise a considerable portion of the DPU

The cosmic ray actinide charge spectrum derived from a 10 m{sup 2} array of solid state nuclear track detectors in Earth orbit

Energy Technology Data Exchange (ETDEWEB)

Donnelly, J. E-mail: jd@cp.dias.ie; Thompson, A.; O' Sullivan, D.; Drury, L.O' C.; Wenzel, K.-P

2001-06-01

The DIAS-ESTEC Ultra Heavy Cosmic Ray Experiment (UHCRE) on the Long Duration Exposure Facility, collected approximately 3000 cosmic ray nuclei with Z>65 in the energy region E>1.5 GeV nucleon{sup -1} during a six year exposure in Earth orbit. The entire accessible collecting area of the solid state nuclear track detector (SSNTD) array has been scanned for actinides, yielding a sample of 30 from an exposure of {approx}150 m{sup 2} sr yr. The UHCRE experimental setup is described and the observed charge spectrum presented. The current best value for the cosmic ray actinide relative abundance, (Z>88)/(74{<=}Z{<=}87), is reported.

Charged particles radiation measurements with Liulin-MO dosimeter of FREND instrument aboard ExoMars Trace Gas Orbiter during the transit and in high elliptic Mars orbit

Science.gov (United States)

Semkova, Jordanka; Koleva, Rositza; Benghin, Victor; Dachev, Tsvetan; Matviichuk, Yuri; Tomov, Borislav; Krastev, Krasimir; Maltchev, Stephan; Dimitrov, Plamen; Mitrofanov, Igor; Malahov, Alexey; Golovin, Dmitry; Mokrousov, Maxim; Sanin, Anton; Litvak, Maxim; Kozyrev, Andrey; Tretyakov, Vladislav; Nikiforov, Sergey; Vostrukhin, Andrey; Fedosov, Fedor; Grebennikova, Natalia; Zelenyi, Lev; Shurshakov, Vyacheslav; Drobishev, Sergey

2018-03-01

ExoMars is a joint ESA-Rosscosmos program for investigating Mars. Two missions are foreseen within this program: one consisting of the Trace Gas Orbiter (TGO), that carries scientific instruments for the detection of trace gases in the Martian atmosphere and for the location of their source regions, plus an Entry, Descent and landing demonstrator Module (EDM), launched on March 14, 2016; and the other, featuring a rover and a surface platform, with a launch date of 2020. On October 19, 2016 TGO was inserted into high elliptic Mars' orbit. The dosimetric telescope Liulin-MO for measuring the radiation environment onboard the ExoMars 2016 TGO is a module of the Fine Resolution Epithermal Neutron Detector (FREND). Here we present first results from measurements of the charged particle fluxes, dose rates, Linear Energy Transfer (LET) spectra and estimation of dose equivalent rates in the interplanetary space during the cruise of TGO to Mars and first results from dosimetric measurements in high elliptic Mars' orbit. A comparison is made with the dose rates obtained by RAD instrument onboard Mars Science Laboratory during the cruise to Mars in 2011-2012 and with the Galactic Cosmic Rays (GCR) count rates provided by other particle detectors currently in space. The average measured dose rate in Si from GCR during the transit to Mars for the period April 22-September 15, 2016 is 372 ± 37 μGy d-1 and 390 ± 39 μGy d-1 in two perpendicular directions. The dose equivalent rate from GCR for the same time period is about 2 ± 0.3 mSv d-1. This is in good agreement with RAD results for radiation dose rate in Si from GCR in the interplanetary space, taking into account the different solar activity during the measurements of both instruments. About 10% increase of the dose rate, and 15% increase of the dose equivalent rate for 10.5 months flight is observed. It is due to the increase of Liulin-MO particle fluxes for that period and corresponds to the overall GCR intensity

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

Science.gov (United States)

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

Science.gov (United States)

Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

2017-09-01

We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

The effect of J{sub 2} on equatorial and halo orbits around a magnetic planet

Energy Technology Data Exchange (ETDEWEB)

Inarrea, Manuel [Universidad de la Rioja, Area de Fisica, 26006 Logrono (Spain); Lanchares, Victor [Dpto. de Matematicas y Computacion, CIEMUR: Centro de Investigacion en Informatica, Estadistica y Matematicas, Universidad de la Rioja, 26004 Logrono (Spain)], E-mail: vlancha@unirioja.es; Palacian, Jesus F. [Universidad Publica de Navarra, Departamento de Ingenieria Matematica e Informatica, 31006 Pamplona (Spain); Pascual, Ana I. [Dpto. de Matematicas y Computacion, CIEMUR: Centro de Investigacion en Informatica, Estadistica y Matematicas, Universidad de la Rioja, 26004 Logrono (Spain); Pablo Salas, J. [Universidad de la Rioja, Area de Fisica, 26006 Logrono (Spain); Yanguas, Patricia [Universidad Publica de Navarra, Departamento de Ingenieria Matematica e Informatica, 31006 Pamplona (Spain)

2009-10-15

We calculate equatorial and halo orbits around a non-spherical (both oblate and prolate) magnetic planet. It is known that circular equatorial and halo orbits exist for a dust grain orbiting a spherical magnetic planet. However, the frequency of the orbit is constrained by the charge-mass ratio of the particle. If the non-sphericity of the planet is taken into account this constraint is modified or, in some cases, it disappears.

Spin excitations in the quasi-two-dimensional charge-ordered insulator α -(BEDT-TTF ) 2I3 probed via 13C NMR

Science.gov (United States)

Ishikawa, Kyohei; Hirata, Michihiro; Liu, Dong; Miyagawa, Kazuya; Tamura, Masafumi; Kanoda, Kazushi

2016-08-01

The spin excitations from the nonmagnetic charge-ordered insulating state of α -(BEDT-TTF ) 2I3 at ambient pressure have been investigated by probing the static and low-frequency dynamic spin susceptibilities via site-selective nuclear magnetic resonance at 13C sites. The site-dependent values of the shift and the spin-lattice relaxation rate 1 /T1 below the charge-ordering transition temperature (TCO≈135 K ) demonstrate a spin density imbalance in the unit cell, in accord with the charge-density ratio reported earlier. The shift and 1 /T1 show activated temperature dependence with a static (shift) gap ΔS≈47 -52 meV and a dynamic (1 /T1 ) gap ΔR≈40 meV . The sizes of the gaps are well described in terms of a localized spin model, where spin-1/2 antiferromagnetic dimer chains are weakly coupled with each other.

An analysis of near-circular lunar mapping orbits

Indian Academy of Sciences (India)

Numerical investigations have been carried out to analyse the evolution of lunar circular orbits and the influence of the higher order harmonics of the lunar gravity field. The aim is to select the appropriate near-circular orbit characteristics, which extend orbit life through passive orbit maintenance. The spherical harmonic ...

arXiv AMS tracking in-orbit performance

CERN Document Server

Pohl, Martin

2015-09-18

AMS-02 is a high precision magnetic spectrometer for cosmic rays in the GeV to TeV energy range. Its tracker consists of nine layers of double-sided silicon microstrip sensors. They are used to locate the trajectories of cosmic rays in the 0.14 T field of a cylindrical magnet, thus measuring their rigidity $p/Z$ and charge sign. In addition, they deliver a high resolution measurement of the absolute charge $|Z|$. The detector has been designed to operate in space with a position resolution of about 10 $\\mu$m for each hit and charge identification capabilities up to $Z=26$. In this talk I describe the performance in orbit of this detector component and its impact on the overall performance of the spectrometer.

Spacecraft Charge Monitor

Science.gov (United States)

Goembel, L.

2003-12-01

We are currently developing a flight prototype Spacecraft Charge Monitor (SCM) with support from NASA's Small Business Innovation Research (SBIR) program. The device will use a recently proposed high energy-resolution electron spectroscopic technique to determine spacecraft floating potential. The inspiration for the technique came from data collected by the Atmosphere Explorer (AE) satellites in the 1970s. The data available from the AE satellites indicate that the SCM may be able to determine spacecraft floating potential to within 0.1 V under certain conditions. Such accurate measurement of spacecraft charge could be used to correct biases in space plasma measurements. The device may also be able to measure spacecraft floating potential in the solar wind and in orbit around other planets.

Pressure-induced structural transformations, orbital order and antiferromagnetism in La.sub.0.75./sub.Ca.sub.0.25./sub.MnO.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Kozlenko, D. P.; Dang, N.T.; Kichanov, S.E.; Lukin, E.V.; Knížek, Karel; Jirák, Zdeněk; Dubrovinsky, L.S.; Voronin, V.I.; Savenko, B. N.

2013-01-01

Roč. 86, č. 8 (2013) ISSN 1434-6028 Institutional support: RVO:68378271 Keywords : X-ray diffraction * antiferromagnetism * orbital order Subject RIV: BE - Theoretical Physics Impact factor: 1.463, year: 2013

On-orbit Status and Light Attenuation Behavior of the DAMPE-PSD

Science.gov (United States)

Li, Y.; Zhang, Y. P.; Zhang, Y. J.; Sun, Z. Y.; Yu, Y. H.; Dong, T. K.; Ma, P. X.; Wang, Y. P.; Yuan, Q.

2017-11-01

The DArk Matter Particle Explorer (DAMPE) is a high-resolution multi-purpose space-borne device for detecting the high-energy cosmic-rays like e±, γ-rays, protons, and heavy-ions, which was launched on 2015 December 17th. The Plastic Scintillator Detector (PSD) is the top-most sub-detector of DAMPE. The PSD is designed to measure the charge of incident high-energy particles, and to serve as a veto detector for discriminating γ-rays from the charged particles. In this paper, the on-orbit status of the PSD after launching in terms of high voltage (HV) and temperature stabilities is presented. The temperature and the HV variations of the PSD are less than 1°C and 0.5%, respectively. By using the on-orbit data, the attenuation lengths of PSD bars are obtained according to an empirical formula. A preliminary charge spectrum reconstructed from the X-layer of the PSD is obtained.

The electro-optical and charge transport study of imidazolidin derivative: Quantum chemical investigations

Directory of Open Access Journals (Sweden)

Ahmad Irfan

2016-11-01

Full Text Available Imidazolidin derivatives gained significant attention in our daily life from better biological activity to the semiconducting materials. The present investigation deals with the in depth study of (Z-2-sulfanylidene-5-(thiophen-2-ylmethylideneimidazolidin-4-one (STMI with respect to their structural, electronic, optical and charge transport properties as semiconducting material. The ground and first excited state geometries were optimized by applying density functional theory (DFT and time dependent DFT, respectively. The light has been shed on the frontier molecular orbitals (FMOs and observed comprehensible intramolecular charge transfer (ICT from the highest occupied molecular orbitals (HOMOs to the lowest unoccupied molecular orbitals (LUMOs. The absorption, emission, ionization potentials (IP, electron affinities (EA, total and partial densities of states and structure-property relationship have been discussed. Finally, hole as well as electron reorganization energies, transfer integrals and intrinsic mobilities have been calculated then charge transport behavior of STMI was discussed, intensively.

Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

Science.gov (United States)

Isaac, Rohan; Goetz, Katelyn P.; Roberts, Drew; Jurchescu, Oana D.; McNeil, L. E.

2018-02-01

Charge-transfer (CT) complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA) confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD) results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene) and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

Dynamic and reduced-dynamic precise orbit determination of satellites in low earth orbits

International Nuclear Information System (INIS)

Swatschina, P.

2009-01-01

The precise positioning of satellites in Low Earth Orbits (LEO) has become a key technology for advanced space missions. Dedicated satellite missions, such as CHAMP, GRACE and GOCE, that aim to map the Earths gravity field and its variation over time with unprecedented accuracy, initiated the demand for highly precise orbit solutions of LEO satellites. Furthermore, a wide range of additional science opportunities opens up with the capability to generate accurate LEO orbits. For all considered satellite missions, the primary measurement system for navigation is a spaceborne GPS receiver. The goal of this thesis is to establish and implement methods for Precise Orbit Determination (POD) of LEO satellites using GPS. Striving for highest precision using yet efficient orbit generation strategies, the attained orbit solutions are aimed to be competitive with the most advanced solutions of other institutions. Dynamic and reduced-dynamic orbit models provide the basic concepts of this work. These orbit models are subsequently adjusted to the highly accurate GPS measurements. The GPS measurements are introduced at the zero difference level in the ionosphere free linear combination. Appropriate procedures for GPS data screening and editing are established to detect erroneous data and to employ measurements of good quality only. For the dynamic orbit model a sophisticated force model, especially designed for LEO satellites, has been developed. In order to overcome the limitations that are induced by the deficiencies of the purely dynamical model, two different types of empirical parameters are introduced into the force model. These reduced-dynamic orbit models allow for the generation of much longer orbital arcs while preserving the spacecraft dynamics to the most possible extent. The two methods for reduced-dynamic orbit modeling are instantaneous velocity changes (pulses) or piecewise constant accelerations. For both techniques highly efficient modeling algorithms are

Cosmic censorship in overcharging a Reissner-Nordstroem black hole via charged particle absorption

International Nuclear Information System (INIS)

Isoyama, Soichiro; Sago, Norichika; Tanaka, Takahiro

2011-01-01

There is a claim that a static-charged black hole (Reissner-Nordstroem black hole) can be overcharged by absorbing a charged test particle. If it is true, it might give a counter example to the weak cosmic censorship conjecture, which states that spacetime singularities are never observed by a distant observer. However, so far the proposed process has only been analyzed within a test particle approximation. Here, we claim that the backreaction effects of a charged particle cannot be neglected when judging whether the suggested process is really a counter example to the cosmic censorship conjecture. Furthermore, we argue that all the backreaction effects can be properly taken into account when we consider the trajectory of a particle on the border between the plunge and bounce orbits. In such marginal cases, we find that the Reissner-Nordstroem black hole can never be overcharged via the absorption of a charged particle. Since all the plunge orbits are expected to have a higher energy than the marginal orbit, we conclude that there is no supporting evidence that indicates the violation of the cosmic censorship in the proposed overcharging process.

A numerical model of the electrodynamics of plasma within the contaminant gas cloud of the space shuttle orbiter at low Earth orbit

International Nuclear Information System (INIS)

Eccles, J.V.; Raitt, W.J.; Banks, P.M.

1989-01-01

This paper presents results from a two-dimensional, finite-difference model used to solve for the time evolution of low beta plasma within the neutral contaminant cloud in the vicinity of space platforms in low earth orbit. The model of the ambient and contaminant plasma dynamics takes into account the effects of the geomagnetic field, electric fields, background ionosphere, ion-neutral collisions, chemistry, and both Pederson and Hall currents. Net ionization and charge exchange source terms are included in the fluid equations to study electrodynamic effects of chemistry within a moving neutral cloud in the low earth orbit ionosphere. The model is then used with complete water cloud chemistry to simulate the known outgassing situation of the space shuttle Orbiter. A comparison is made of the model results with plasma observations made during daytime on OSS-1/STS-3 mission. The reported density enhancements of the OSS-1 mission are unattainable with normal photoionization and charge exchange rates of simple water cloud chemistry used in the two-dimensional model. The enhanced densities are only attained by a generic chemistry model if a net ionization rate 1,000 times higher than the photoionization rate of water is used. It is also shown that significant plasma buildup at the front of the contaminant neutral cloud can occur due to momentum transfer from the neutral outgas cloud to the plasma through elastic collisions and charge exchange. The currents caused by elastic and reactive collisions result in the generation of a small polarization electric field within the outgas cloud

Deep Charging Evaluation of Satellite Power and Communication System Components

Science.gov (United States)

Schneider, T. A.; Vaughn, J. A.; Chu, B.; Wong, F.; Gardiner, G.; Wright, K. H.; Phillips, B.

2016-01-01

Deep charging, in contrast to surface charging, focuses on electron penetration deep into insulating materials applied over conductors. A classic example of this scenario is an insulated wire. Deep charging can pose a threat to material integrity, and to sensitive electronics, when it gives rise to an electrostatic discharge or arc. With the advent of Electric Orbit Raising, which requires spiraling through Earth's radiation belts, satellites are subjected to high energy electron environments which they normally would not encounter. Beyond Earth orbit, missions to Jupiter and Saturn face deep charging concerns due to the high energy radiation environments. While predictions can be made about charging in insulating materials, it is difficult to extend those predictions to complicated geometries, such as the case of an insulating coating around a small wire, or a non-uniform silicone grouting on a bus bar. Therefore, to conclusively determine the susceptibility of a system to arcs from deep charging, experimental investigations must be carried out. This paper will describe the evaluation carried out by NASA's Marshall Space Flight Center on subscale flight-like samples developed by Space Systems/Loral, LLC. Specifically, deep charging evaluations of solar array wire coupons, a photovoltaic cell coupon, and a coaxial microwave transmission cable, will be discussed. The results of each evaluation will be benchmarked against control sample tests, as well as typical power system levels, to show no significant deep charging threat existed for this set of samples under the conditions tested.

Microgravity and Charge Transfer in the Neuronal Membrane: Implications for Computational Neurobiology

Science.gov (United States)

Wallace, Ron

1995-01-01

Evidence from natural and artificial membranes indicates that the neural membrane is a liquid crystal. A liquid-to-gel phase transition caused by the application of superposed electromagnetic fields to the outer membrane surface releases spin-correlated electron pairs which propagate through a charge transfer complex. The propagation generates Rydberg atoms in the lipid bilayer lattice. In the present model, charge density configurations in promoted orbitals interact as cellular automata and perform computations in Hilbert space. Due to the small binding energies of promoted orbitals, their automata are highly sensitive to microgravitational perturbations. It is proposed that spacetime is classical on the Rydberg scale, but formed of contiguous moving segments, each of which displays topological equivalence. This stochasticity is reflected in randomized Riemannian tensor values. Spacetime segments interact with charge automata as components of a computational process. At the termination of the algorithm, an orbital of high probability density is embedded in a more stabilized microscopic spacetime. This state permits the opening of an ion channel and the conversion of a quantum algorithm into a macroscopic frequency code.

Equilibria of a charged artificial satellite subject to gravitational and Lorentz torques

International Nuclear Information System (INIS)

Abdel-Aziz, Yehia A.; Shoaib, Muhammad

2014-01-01

The attitude dynamics of a rigid artificial satellite subject to a gravity gradient and Lorentz torques in a circular orbit are considered. Lorentz torque is developed on the basis of the electrodynamic effects of the Lorentz force acting on the charged satellite's surface. We assume that the satellite is moving in a Low Earth Orbit in the geomagnetic field, which is considered to be a dipole. Our model of torque due to the Lorentz force is developed for an artificial satellite with a general shape, and the nonlinear differential equations of Euler are used to describe its attitude orientation. All equilibrium positions are determined and conditions for their existence are obtained. The numerical results show that the charge q and radius ρ 0 of the center of charge for the satellite provide a certain type of semi-passive control for the attitude of the satellite. The technique for this kind of control would be to increase or decrease the electrostatic screening on the satellite. The results obtained confirm that the change in charge can affect the magnitude of the Lorentz torque, which can also affect control of the satellite. Moreover, the relationship between magnitude of the Lorentz torque and inclination of the orbit is investigated. (research papers)

Equilibria of a charged artificial satellite subject to gravitational and Lorentz torques

Science.gov (United States)

Abdel-Aziz, Yehia A.; Shoaib, Muhammad

2014-07-01

The attitude dynamics of a rigid artificial satellite subject to a gravity gradient and Lorentz torques in a circular orbit are considered. Lorentz torque is developed on the basis of the electrodynamic effects of the Lorentz force acting on the charged satellite's surface. We assume that the satellite is moving in a Low Earth Orbit in the geomagnetic field, which is considered to be a dipole. Our model of torque due to the Lorentz force is developed for an artificial satellite with a general shape, and the nonlinear differential equations of Euler are used to describe its attitude orientation. All equilibrium positions are determined and conditions for their existence are obtained. The numerical results show that the charge q and radius ρ0 of the center of charge for the satellite provide a certain type of semi-passive control for the attitude of the satellite. The technique for this kind of control would be to increase or decrease the electrostatic screening on the satellite. The results obtained confirm that the change in charge can affect the magnitude of the Lorentz torque, which can also affect control of the satellite. Moreover, the relationship between magnitude of the Lorentz torque and inclination of the orbit is investigated.

Electrostatic Charging and Particle Interactions in Microscopic Insulating Grains

Science.gov (United States)

Lee, Victor

In this thesis, we experimentally investigate the electrostatic charging as well as the particle interactions in microscopic insulating grains. First, by tracking individual grains accelerated in an electric field, we quantitatively demonstrate that tribocharging of same-material grains depends on particle size. Large grains tend to charge positively, and small ones tend to charge negatively. Theories based on the transfer of trapped electrons can explain this tendency but have not been validated. Here we show that the number of trapped electrons, measured independently by a thermoluminescence technique, is orders of magnitude too small to be responsible for the amount of charge transferred. This result reveals that trapped electrons are not responsible for same-material tribocharging of dielectric particles. Second, same-material tribocharging in grains can result in important long-range electrostatic interactions. However, how these electrostatic interactions contribute to particle clustering remains elusive, primarily due to the lack of direct, detailed observations. Using a high-speed camera that falls with a stream charged grains, we observe for the first time how charged grains can undergo attractive as well as repulsive Kepler-like orbits. Charged particles can be captured in their mutual electrostatic potential and form clusters via multiple bounces. Dielectric polarization effects are directly observed, which lead to additional attractive forces and stabilize "molecule-like" arrangements of charged particles. Third, we have developed a new method to study the charge transfer of microscopic particles based on acoustic levitation techniques. This method allows us to narrow the complex problem of many-particle charging down to precise charge measurements of a single sub-millimeter particle colliding with a target plate. By simply attaching nonpolar groups onto glass surfaces, we show that the contact charging of a particle is highly dependent on

Calculations on the Nonlinear Second—Order Optical Polarizabilities for Series of Donor—C60 Molecules

Institute of Scientific and Technical Information of China (English)

刘孝娟; 封继康; 任爱民

2003-01-01

The equilibrium geometries and UV-visible spectra of a series of donor-C60 molecules were obtained by means of the AM1 and INDO/CI method,on the basis of accurate geometric and electronic structures.The nonlinear second-order optical polarizabilities were calculated using the method INDO/SDCI combined with the Sum-Over-States(SOS) expression.The calculatedβ(λ=1.34μm) values are 28.81,48.56,57.33,66.99,70.85,85.84,and 142.14(×10-30 esu) for the molecules A,B,C,D,E,F and G,respectively.The frontier orbitals were plot for the representative molecules in order to exhibit the intramolecular charge transfer.The results indicate the introduction of thienylethylene can enhance the NLO response and the dimethylaniline-substituted dithienyl-ethylene-C60 (molecule G) possesses the largest NLO second-order optical polarizability.The large β values can be attributed to the charge transfer between the substituents and C60,as well as within the three-dimensional conjugated sphere of C60.

The universal cardinal ordering of fixed points

International Nuclear Information System (INIS)

San Martin, Jesus; Moscoso, Ma Jose; Gonzalez Gomez, A.

2009-01-01

We present the theorem which determines, by a permutation, the cardinal ordering of fixed points for any orbit of a period doubling cascade. The inverse permutation generates the orbit and the symbolic sequence of the orbit is obtained as a corollary. Interestingly enough, it is important to point that this theorem needs no previous information about any other orbit; also the cardinal ordering is achieved automatically with no need to compare numerical values associated with every point of the orbit (as would be the case if kneading theory were used).

Simulations of charge transport in organic compounds

Energy Technology Data Exchange (ETDEWEB)

Vehoff, Thorsten

2010-05-05

We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

International Nuclear Information System (INIS)

Theophilou, Iris; Tassi, M.; Thanos, S.

2014-01-01

Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations

The Roles of Structural Order and Intermolecular Interactions in Determining Ionization Energies and Charge-Transfer State Energies in Organic Semiconductors

KAUST Repository

Graham, Kenneth

2016-08-17

The energy landscape in organic semiconducting materials greatly influences charge and exciton behavior, which are both critical to the operation of organic electronic devices. These energy landscapes can change dramatically depending on the phases of material present, including pure phases of one molecule or polymer and mixed phases exhibiting different degrees of order and composition. In this work, ultraviolet photoelectron spectroscopy measurements of ionization energies (IEs) and external quantum efficiency measurements of charge-transfer (CT) state energies (ECT) are applied to molecular photovoltaic material systems to characterize energy landscapes. The results show that IEs and ECT values are highly dependent on structural order and phase composition. In the sexithiophene:C60 system both the IEs of sexithiophene and C60 shift by over 0.4 eV while ECT shifts by 0.5 eV depending on molecular composition. By contrast, in the rubrene:C60 system the IE of rubrene and C60 vary by ≤0.11 eV and ECT varies by ≤0.04 eV as the material composition varies. These results suggest that energy landscapes can exist whereby the binding energies of the CT states are overcome by energy offsets between charges in CT states in mixed regions and free charges in pure phases. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fractional-topological-charge-induced vortex birth and splitting of light fields on the submicron scale

Science.gov (United States)

Fang, Yiqi; Lu, Qinghong; Wang, Xiaolei; Zhang, Wuhong; Chen, Lixiang

2017-02-01

The study of vortex dynamics is of fundamental importance in understanding the structured light's propagation behavior in the realm of singular optics. Here, combining with the large-angle holographic lithography in photoresist, a simple experiment to trace and visualize the vortex birth and splitting of light fields induced by various fractional topological charges is reported. For a topological charge M =1.76 , the recorded microstructures reveal that although it finally leads to the formation of a pair of fork gratings, these two vortices evolve asynchronously. More interestingly, it is observed on the submicron scale that high-order topological charges M =3.48 and 3.52, respectively, give rise to three and four characteristic forks embedded in the samples with one-wavelength resolution of about 450 nm. Numerical simulations based on orbital angular momentum eigenmode decomposition support well the experimental observations. Our method could be applied effectively to study other structured matter waves, such as the electron and neutron beams.

Experimental validation of calculated atomic charges in ionic liquids

Science.gov (United States)

Fogarty, Richard M.; Matthews, Richard P.; Ashworth, Claire R.; Brandt-Talbot, Agnieszka; Palgrave, Robert G.; Bourne, Richard A.; Vander Hoogerstraete, Tom; Hunt, Patricia A.; Lovelock, Kevin R. J.

2018-05-01

A combination of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure spectroscopy has been used to provide an experimental measure of nitrogen atomic charges in nine ionic liquids (ILs). These experimental results are used to validate charges calculated with three computational methods: charges from electrostatic potentials using a grid-based method (ChelpG), natural bond orbital population analysis, and the atoms in molecules approach. By combining these results with those from a previous study on sulfur, we find that ChelpG charges provide the best description of the charge distribution in ILs. However, we find that ChelpG charges can lead to significant conformational dependence and therefore advise that small differences in ChelpG charges (<0.3 e) should be interpreted with care. We use these validated charges to provide physical insight into nitrogen atomic charges for the ILs probed.

Spin Orbit Interaction Engineering for beyond Spin Transfer Torque memory

Science.gov (United States)

Wang, Kang L.

Spin transfer torque memory uses electron current to transfer the spin torque of electrons to switch a magnetic free layer. This talk will address an alternative approach to energy efficient non-volatile spintronics through engineering of spin orbit interaction (SOC) and the use of spin orbit torque (SOT) by the use of electric field to improve further the energy efficiency of switching. I will first discuss the engineering of interface SOC, which results in the electric field control of magnetic moment or magneto-electric (ME) effect. Magnetic memory bits based on this ME effect, referred to as magnetoelectric RAM (MeRAM), is shown to have orders of magnitude lower energy dissipation compared with spin transfer torque memory (STTRAM). Likewise, interests in spin Hall as a result of SOC have led to many advances. Recent demonstrations of magnetization switching induced by in-plane current in heavy metal/ferromagnetic heterostructures have been shown to arise from the large SOC. The large SOC is also shown to give rise to the large SOT. Due to the presence of an intrinsic extraordinarily strong SOC and spin-momentum lock, topological insulators (TIs) are expected to be promising candidates for exploring spin-orbit torque (SOT)-related physics. In particular, we will show the magnetization switching in a chromium-doped magnetic TI bilayer heterostructure by charge current. A giant SOT of more than three orders of magnitude larger than those reported in heavy metals is also obtained. This large SOT is shown to come from the spin-momentum locked surface states of TI, which may further lead to innovative low power applications. I will also describe other related physics of SOC at the interface of anti-ferromagnetism/ferromagnetic structure and show the control exchange bias by electric field for high speed memory switching. The work was in part supported by ERFC-SHINES, NSF, ARO, TANMS, and FAME.

Theory of orbital magnetoelectric response

International Nuclear Information System (INIS)

Malashevich, Andrei; Souza, Ivo; Coh, Sinisa; Vanderbilt, David

2010-01-01

We extend the recently developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric (ME) response of periodic insulators. Working in the independent-particle framework, we find that the finite-field orbital magnetization can be written as a sum of three gauge-invariant contributions, one of which has no counterpart at zero field. The extra contribution is collinear with and explicitly dependent on the electric field. The expression for the orbital magnetization is suitable for first-principles implementations, allowing one to calculate the ME response coefficients by numerical differentiation. Alternatively, perturbation-theory techniques may be used, and for that purpose we derive an expression directly for the linear ME tensor by taking the first field-derivative analytically. Two types of terms are obtained. One, the 'Chern-Simons' term, depends only on the unperturbed occupied orbitals and is purely isotropic. The other, 'Kubo' terms, involve the first-order change in the orbitals and give isotropic as well as anisotropic contributions to the response. In ordinary ME insulators all terms are generally present, while in strong Z 2 topological insulators only the Chern-Simons term is allowed, and is quantized. In order to validate the theory, we have calculated under periodic boundary conditions the linear ME susceptibility for a 3D tight-binding model of an ordinary ME insulator, using both the finite-field and perturbation-theory expressions. The results are in excellent agreement with calculations on bounded samples.

Mesoscopic rings with spin-orbit interactions

Energy Technology Data Exchange (ETDEWEB)

Berche, Bertrand; Chatelain, Christophe; Medina, Ernesto, E-mail: berche@lpm.u-nancy.f [Statistical Physics Group, Institut Jean Lamour, UMR CNRS No 7198, Universite Henri Poincare, Nancy 1, B.P. 70239, F-54506 Vandoeuvre les Nancy (France)

2010-09-15

A didactic description of charge and spin equilibrium currents on mesoscopic rings in the presence of spin-orbit interaction is presented. Emphasis is made on the non-trivial construction of the correct Hamiltonian in polar coordinates, the calculation of eigenvalues and eigenfunctions and the symmetries of the ground-state properties. Spin currents are derived following an intuitive definition, and then a more thorough derivation is built upon the canonical Lagrangian formulation that emphasizes the SU(2) gauge structure of the transport problem of spin-1/2 fermions in spin-orbit active media. The quantization conditions that follow from the constraint of single-valued Pauli spinors are also discussed. The targeted students are those of a graduate condensed matter physics course.

Fluctuation theorems and orbital magnetism in nonequilibrium state

Indian Academy of Sciences (India)

We study Langevin dynamics of a driven charged particle in the presence as well as in the absence of magnetic field. We discuss the validity of various work fluctuation theorems using different model potentials and external drives. We also show that one can generate an orbital magnetic moment in a nonequilibrium state ...

Orbit Determination of Spacecraft in Earth-Moon L1 and L2 Libration Point Orbits

Science.gov (United States)

Woodard, Mark; Cosgrove, Daniel; Morinelli, Patrick; Marchese, Jeff; Owens, Brandon; Folta, David

2011-01-01

The ARTEMIS mission, part of the THEMIS extended mission, is the first to fly spacecraft in the Earth-Moon Lissajous regions. In 2009, two of the five THEMIS spacecraft were redeployed from Earth-centered orbits to arrive in Earth-Moon Lissajous orbits in late 2010. Starting in August 2010, the ARTEMIS P1 spacecraft executed numerous stationkeeping maneuvers, initially maintaining a lunar L2 Lissajous orbit before transitioning into a lunar L1 orbit. The ARTEMIS P2 spacecraft entered a L1 Lissajous orbit in October 2010. In April 2011, both ARTEMIS spacecraft will suspend Lissajous stationkeeping and will be maneuvered into lunar orbits. The success of the ARTEMIS mission has allowed the science team to gather unprecedented magnetospheric measurements in the lunar Lissajous regions. In order to effectively perform lunar Lissajous stationkeeping maneuvers, the ARTEMIS operations team has provided orbit determination solutions with typical accuracies on the order of 0.1 km in position and 0.1 cm/s in velocity. The ARTEMIS team utilizes the Goddard Trajectory Determination System (GTDS), using a batch least squares method, to process range and Doppler tracking measurements from the NASA Deep Space Network (DSN), Berkeley Ground Station (BGS), Merritt Island (MILA) station, and United Space Network (USN). The team has also investigated processing of the same tracking data measurements using the Orbit Determination Tool Kit (ODTK) software, which uses an extended Kalman filter and recursive smoother to estimate the orbit. The orbit determination results from each of these methods will be presented and we will discuss the advantages and disadvantages associated with using each method in the lunar Lissajous regions. Orbit determination accuracy is dependent on both the quality and quantity of tracking measurements, fidelity of the orbit force models, and the estimation techniques used. Prior to Lissajous operations, the team determined the appropriate quantity of tracking

Neutron scattering study of charge-ordering in R1/3Sr2/3FeO3 (R=La, Pr, Nd, Sm, and Y)

International Nuclear Information System (INIS)

Ma, Jie

2010-01-01

The complicated physical phenomena in complex transition-metal oxides (TMO), such as high Tc superconductivity, colossal magnetoresistivity, metal-insulator transitions, etc., have long been the focus of intense inquiry and debate in condensed matter science, since they are related to strong electronic correlations and cannot be explained within the 'standard model' of solid state physics. These novel functionalities of the correlated electron systems have a wide range of potential for applications in industry, such as information storage, energy transportation, and so on. The charge-ordering (CO) transition is very common in TMO and there is a specific CO transition temperature, TCO. Above TCO, the charge is not ordered, which means that the electrons in a compound are itinerant and the positions of the electrons are not fixed. Below TCO, the charge is ordered, which means that the electrons are localized and the positions of the electrons are settled. Hence, the electrical conductivity of a material is changed at TCO and this transition is classified as metal-insulator transition. Usually the CO with commensurate hole doping in TMO is thought to play an important role in various cases, including the superconducting cuprates, where the spin/charge stripe formation competes with superconducting states, colossal magnetoresistive manganites, where CO competes with ferromagnetic metallic state stabilized by an external magnetic field, layered nickelates, where CO takes the form of the small polaron lattices, and layered manganites, where CO could be bothered by the correlated dynamics of spins and charges. Therefore understanding the causes and implications of CO phenomena is significantly important.

Neutron scattering study of charge-ordering in R1/3Sr2/3FeO3 (R=La, Pr, Nd, Sm, and Y)

Energy Technology Data Exchange (ETDEWEB)

Ma, Jie [Iowa State Univ., Ames, IA (United States)

2010-01-01

The complicated physical phenomena in complex transition-metal oxides (TMO), such as high T_c superconductivity, colossal magnetoresistivity, metal-insulator transitions, etc., have long been the focus of intense inquiry and debate in condensed matter science, since they are related to strong electronic correlations and cannot be explained within the 'standard model' of solid state physics. These novel functionalities of the correlated electron systems have a wide range of potential for applications in industry, such as information storage, energy transportation, and so on. The charge-ordering (CO) transition is very common in TMO and there is a specific CO transition temperature, TCO. Above TCO, the charge is not ordered, which means that the electrons in a compound are itinerant and the positions of the electrons are not fixed. Below TCO, the charge is ordered, which means that the electrons are localized and the positions of the electrons are settled. Hence, the electrical conductivity of a material is changed at TCO and this transition is classified as metal-insulator transition. Usually the CO with commensurate hole doping in TMO is thought to play an important role in various cases, including the superconducting cuprates, where the spin/charge stripe formation competes with superconducting states, colossal magnetoresistive manganites, where CO competes with ferromagnetic metallic state stabilized by an external magnetic field, layered nickelates, where CO takes the form of the small polaron lattices, and layered manganites, where CO could be bothered by the correlated dynamics of spins and charges. Therefore understanding the causes and implications of CO phenomena is significantly important.

Sixth-order Douglas-Kroll: two-component reference data for one-electron ions from 1s12 through 4f72

International Nuclear Information System (INIS)

Wuellen, Christoph van

2005-01-01

Quasirelativistic Douglas-Kroll calculations including spin-orbit interaction have been performed for hydrogen-like (one-electron) ions. The Douglas-Kroll operators have been implemented up to the sixth order, and a huge even-tempered basis set has been applied that gives results to microhartree accuracy for the energy levels 1s 12 through 4f 72 for all ions with nuclear charge from Z=1 up to Z=100. Besides providing reference data for other implementations, these results can be used to analyse the performance of the Douglas-Kroll method. Such an analysis is presented for the 1s energy levels and the spin-orbit splitting of the 2p shell. The leading order of the error of the Douglas-Kroll result is different for 2s and 2p 12 although these levels are degenerate both at nonrelativistic and Dirac level

Glass-like recovery of antiferromagnetic spin ordering in a photo-excited manganite Pr0.7Ca0.3MnO3

Energy Technology Data Exchange (ETDEWEB)

Zhou, S. Y.; Langner, M. C.; Zhu, Y.; Chuang, Y. -D.; Rini, M.; Glover, T. E.; Hertlein, M. P.; Gonzalez, A.G. Cruz; Tahir, N.; Tomioka, Y.; Tokura, Y.; Hussain, Z.; Schoenlein, R. W.

2014-01-16

Electronic orderings of charges, orbitals and spins are observed in many strongly correlated electron materials, and revealing their dynamics is a critical step toward understanding the underlying physics of important emergent phenomena. Here we use time-resolved resonant soft x-ray scattering spectroscopy to probe the dynamics of antiferromagnetic spin ordering in the manganite Pr0:7Ca0:3MnO3 following ultrafast photo-exitation. Our studies reveal a glass-like recovery of the spin ordering and a crossover in the dimensionality of the restoring interaction from quasi-1D at low pump fluence to 3D at high pump fluence. This behavior arises from the metastable state created by photo-excitation, a state characterized by spin disordered metallic droplets within the larger charge- and spin-ordered insulating domains. Comparison with time-resolved resistivity measurements suggests that the collapse of spin ordering is correlated with the insulator-to-metal transition, but the recovery of the insulating phase does not depend on the re-establishment of the spin ordering.

Competing orders in the Hofstadter t -J model

Science.gov (United States)

Tu, Wei-Lin; Schindler, Frank; Neupert, Titus; Poilblanc, Didier

2018-01-01

The Hofstadter model describes noninteracting fermions on a lattice in the presence of an external magnetic field. Motivated by the plethora of solid-state phases emerging from electron interactions, we consider an interacting version of the Hofstadter model, including a Hubbard repulsion U . We investigate this model in the large-U limit corresponding to a t -J Hamiltonian with an external (orbital) magnetic field. By using renormalized mean-field theory supplemented by exact diagonalization calculations of small clusters, we find evidence for competing symmetry-breaking phases, exhibiting (possibly coexisting) charge, bond, and superconducting orders. Topological properties of the states are also investigated, and some of our results are compared to related experiments involving ultracold atoms loaded on optical lattices in the presence of a synthetic gauge field.

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 component...

Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

Directory of Open Access Journals (Sweden)

Rohan Isaac

2018-02-01

Full Text Available Charge-transfer (CT complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

Coupling between Spin and Charge Order Driven by Magnetic Field in Triangular Ising System LuFe2O4+δ

Directory of Open Access Journals (Sweden)

Lei Ding

2018-02-01

Full Text Available We present a study of the magnetic-field effect on spin correlations in the charge ordered triangular Ising system LuFe2O4+δ through single crystal neutron diffraction. In the absence of a magnetic field, the strong diffuse neutron scattering observed below the Neel temperature (TN = 240 K indicates that LuFe2O4+δ shows short-range, two-dimensional (2D correlations in the FeO5 triangular layers, characterized by the development of a magnetic scattering rod along the 1/3 1/3 L direction, persisting down to 5 K. We also found that on top of the 2D correlations, a long range ferromagnetic component associated with the propagation vector k1 = 0 sets in at around 240 K. On the other hand, an external magnetic field applied along the c-axis effectively favours a three-dimensional (3D spin correlation between the FeO5 bilayers evidenced by the increase of the intensity of satellite reflections with propagation vector k2 = (1/3, 1/3, 3/2. This magnetic modulation is identical to the charge ordered superstructure, highlighting the field-promoted coupling between the spin and charge degrees of freedom. Formation of the 3D spin correlations suppresses both the rod-type diffuse scattering and the k1 component. Simple symmetry-based arguments provide a natural explanation of the observed phenomenon and put forward a possible charge redistribution in the applied magnetic field.

Photoemission spectroscopy of the charge-ordering transition in Pr0.5Sr0.5MnO3

International Nuclear Information System (INIS)

Chainani, A.; Kumigashira, H.; Takahashi, T.; Tomioka, Y.; Kuwahara, H.; Tokura, Y.

1996-01-01

In this paper, the electronic structure of the magnetite Pr 0.5 Sr 0.5 MnO 3 across the charge ordering transition is studied using temperature-dependent photoemission spectroscopy. Ultra-violet photoemission spectroscopy have been performed as a function of temperature (25-300K) to investigate the changes in the single-particle density of states across the metal-nonmetal and the para-ferro transitions

Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

Directory of Open Access Journals (Sweden)

B. Zygelman

2002-03-01

Full Text Available A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. < 1 keV/amu. While various empirical scaling-laws are well known in the intermediateand high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the combined SCVB-MOCC approach are briefly discussed.

ORBIT : BEAM DYNAMICS CALCULATIONS FOR HIGH - INTENSITY RINGS

International Nuclear Information System (INIS)

HOLMES, J.A.; DANILOV, V.; GALAMBOS, J.; SHISHLO, A.; COUSINEAU, S.; CHOU, W.; MICHELOTTI, L.; OSTIGUY, F.; WEI, J.

2002-01-01

We are developing a computer code, ORBIT, specifically for beam dynamics calculations in high-intensity rings. Our approach allows detailed simulation of realistic accelerator problems. ORBIT is a particle-in-cell tracking code that transports bunches of interacting particles through a series of nodes representing elements, effects, or diagnostics that occur in the accelerator lattice. At present, ORBIT contains detailed models for strip-foil injection including painting and foil scattering; rf focusing and acceleration; transport through various magnetic elements; longitudinal and transverse impedances; longitudinal, transverse, and three-dimensional space charge forces; collimation and limiting apertures; and the calculation of many useful diagnostic quantities. ORBIT is an object-oriented code, written in C++ and utilizing a scripting interface for the convenience of the user. Ongoing improvements include the addition of a library of accelerator maps, BEAMLINE/MXYZPTLK the introduction of a treatment magnet errors and fringe fields; the conversion of the scripting interface to the standard scripting language, Python; and the parallelization of the computations using MPI. The ORBIT code is an open source, powerful, and convenient tool for studying beam dynamics in high-intensity rings

Chaos and nonlinear dynamics of single-particle orbits in a magnetotaillike magnetic field

Science.gov (United States)

Chen, J.; Palmadesso, P. J.

1986-01-01

The properties of charged-particle motion in Hamiltonian dynamics are studied in a magnetotaillike magnetic field configuration. It is shown by numerical integration of the equation of motion that the system is generally nonintegrable and that the particle motion can be classified into three distinct types of orbits: bounded integrable orbits, unbounded stochastic orbits, and unbounded transient orbits. It is also shown that different regions of the phase space exhibit qualitatively different responses to external influences. The concept of 'differential memory' in single-particle distributions is proposed. Physical implications for the dynamical properties of the magnetotail plasmas and the possible generation of non-Maxwellian features in the distribution functions are discussed.

LHC Orbit Correction Reproducibility and Related Machine Protection

CERN Document Server

Baer, T; Schmidt, R; Wenninger, J

2012-01-01

The Large Hadron Collider (LHC) has an unprecedented nominal stored beam energy of up to 362 MJ per beam. In order to ensure an adequate machine protection by the collimation system, a high reproducibility of the beam position at collimators and special elements like the final focus quadrupoles is essential. This is realized by a combination of manual orbit corrections, feed forward and real time feedback. In order to protect the LHC against inconsistent orbit corrections, which could put the machine in a vulnerable state, a novel software-based interlock system for orbit corrector currents was developed. In this paper, the principle of the new interlock system is described and the reproducibility of the LHC orbit correction is discussed against the background of this system.

Characteristics of persistent spin current components in a quasi-periodic Fibonacci ring with spin–orbit interactions: Prediction of spin–orbit coupling and on-site energy

International Nuclear Information System (INIS)

Patra, Moumita; Maiti, Santanu K.

2016-01-01

In the present work we investigate the behavior of all three components of persistent spin current in a quasi-periodic Fibonacci ring subjected to Rashba and Dresselhaus spin–orbit interactions. Analogous to persistent charge current in a conducting ring where electrons gain a Berry phase in presence of magnetic flux, spin Berry phase is associated during the motion of electrons in presence of a spin–orbit field which is responsible for the generation of spin current. The interplay between two spin–orbit fields along with quasi-periodic Fibonacci sequence on persistent spin current is described elaborately, and from our analysis, we can estimate the strength of any one of two spin–orbit couplings together with on-site energy, provided the other is known. - Highlights: • Determination of Rashba and Dresselhaus spin–orbit fields is discussed. • Characteristics of all three components of spin current are explored. • Possibility of estimating on-site energy is given. • Results can be generalized to any lattice models.

Characteristics of persistent spin current components in a quasi-periodic Fibonacci ring with spin–orbit interactions: Prediction of spin–orbit coupling and on-site energy

Energy Technology Data Exchange (ETDEWEB)

Patra, Moumita; Maiti, Santanu K., E-mail: santanu.maiti@isical.ac.in

2016-12-15

In the present work we investigate the behavior of all three components of persistent spin current in a quasi-periodic Fibonacci ring subjected to Rashba and Dresselhaus spin–orbit interactions. Analogous to persistent charge current in a conducting ring where electrons gain a Berry phase in presence of magnetic flux, spin Berry phase is associated during the motion of electrons in presence of a spin–orbit field which is responsible for the generation of spin current. The interplay between two spin–orbit fields along with quasi-periodic Fibonacci sequence on persistent spin current is described elaborately, and from our analysis, we can estimate the strength of any one of two spin–orbit couplings together with on-site energy, provided the other is known. - Highlights: • Determination of Rashba and Dresselhaus spin–orbit fields is discussed. • Characteristics of all three components of spin current are explored. • Possibility of estimating on-site energy is given. • Results can be generalized to any lattice models.

Dynamical interaction of He atoms with metal surfaces: Charge transfer processes

International Nuclear Information System (INIS)

Flores, F.; Garcia Vidal, F.J.; Monreal, R.

1993-01-01

A self-consistent Kohn-Sham LCAO method is presented to calculate the charge transfer processes between a He * -atom and metal surfaces. Intra-atomic correlation effects are taken into account by considering independently each single He-orbital and by combining the different charge transfer processes into a set of dynamical rate equations for the different ion charge fractions. Our discussion reproduces qualitatively the experimental evidence and gives strong support to the method presented here. (author). 24 refs, 4 figs

Charge transfer between O6+ and atomic hydrogen

Science.gov (United States)

Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

2011-05-01

The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.

Magnetism tuned by the charge states of defects in bulk C-doped SnO2 materials.

Science.gov (United States)

Lu, Ying-Bo; Ling, Z C; Cong, Wei-Yan; Zhang, Peng

2015-10-21

To analyze the controversial conclusions on the magnetism of C-doped SnO2 (SnO2:C) bulk materials between theoretical calculations and experimental observations, we propose the critical role of the charge states of defects in the geometric structures and magnetism, and carry out a series of first principle calculations. By changing the charge states, we can influence Bader charge distributions and atomic orbital occupancies in bulk SnO2:C systems, which consequently conduct magnetism. In all charged SnO2:C supercells, C-2px/py/pz electron occupancies are significantly changed by the charge self-regulation, and thus they make the C-2p orbitals spin polarized, which contribute to the dominant magnetic moment of the system. When the concentration of C dopant in the SnO2 supercell increases, the charge redistribution assigns extra electrons averagely to each dopant, and thus effectively modulates the magnetism. These findings provide an experimentally viable way for controlling the magnetism in these systems.

Spin-Orbit Coupled Quantum Magnetism in the 3D-Honeycomb Iridates

Science.gov (United States)

Kimchi, Itamar

In this doctoral dissertation, we consider the significance of spin-orbit coupling for the phases of matter which arise for strongly correlated electrons. We explore emergent behavior in quantum many-body systems, including symmetry-breaking orders, quantum spin liquids, and unconventional superconductivity. Our study is cemented by a particular class of Mott-insulating materials, centered around a family of two- and three-dimensional iridium oxides, whose honeycomb-like lattice structure admits peculiar magnetic interactions, the so-called Kitaev exchange. By analyzing recent experiments on these compounds, we show that this unconventional exchange is the key ingredient in describing their magnetism, and then use a combination of numerical and analytical techniques to investigate the implications for the phase diagram as well as the physics of the proximate three-dimensional quantum spin liquid phases. These long-ranged-entangled fractionalized phases should exhibit special features, including finite-temperature stability as well as unconventional high-Tc superconductivity upon charge-doping, which should aid future experimental searches for spin liquid physics. Our study explores the nature of frustration and fractionalization which can arise in quantum systems in the presence of strong spin-orbit coupling.

Continuous Variable Entanglement and Squeezing of Orbital Angular Momentum States

DEFF Research Database (Denmark)

Lassen, Mikael Østergaard; Leuchs, Gerd; Andersen, Ulrik Lund

2009-01-01

We report the first experimental characterization of the first-order continuous variable orbital angular momentum states. Using a spatially nondegenerate optical parametric oscillator (OPO) we produce quadrature entanglement between the two first-order Laguerre-Gauss modes. The family of orbital...

Adiabatic motion of charged dust grains in rotating magnetospheres

International Nuclear Information System (INIS)

Northrop, T.G.; Hill, J.R.

1983-01-01

Dust grains in the ring systems and rapidly rotating magnetospheres of the outer planets such as Jupiter and Saturn may be sufficiently charged that the magnetic and electric forces on them are comparable with the gravitational force. The adiabatic theory of charged particle motion has previously been applied to electrons and atomic size particles. But it is also applicable to these charged dust grains in the micrometer and smaller size range. We derive here the guiding center equation of motion, drift velocity, and parallel equation of motion for these grains in a rotating magnetosphere. The effects of periodic grain charge-discharge have not been treated previously and have been included in this analysis. Grain charge is affected by the surrounding plasma properties and by the grain plasma velocity (among other factors), both of which may vary over the gyrocircle. The resulting charge-discharge process at the gyrofrequency destroys the invariance of the magnetic moment and causes a grain to move radially. The magnetic moment may increase or decrease, depending on the gyrophase of the charge variation. If it decreases, the motion is always toward synchronous radius for an equatorial grain. But the orbit becomes circular before the grain reaches synchronous radius, a conclusion that follows from an exact constant of the motion. This circularization can be viewed as a consequence of the gradual reduction in the magnetic moment. This circularization also suggests that dust grains leaving Io could not reach the region of the Jovian ring, but several effects could change that conclusion. Excellent qualitative and quantitative agreement is obtained between adiabatic theory and detailed numerical orbit integrations

Half-metallic and insulating natures in Ru-based ordered double perovskite oxides Ba_2X"I"I"IRu"VO_6 (X = V, Cr) induced by 3d-t_2_g"n orbital filling

International Nuclear Information System (INIS)

Saad, H.-E.M. Musa; Althoyaib, S.S.

2017-01-01

In this paper, we present results of a comprehensive systemic study of the crystal, electronic and magnetic structures on two members of Ru-based ordered double perovskite oxides Ba_2XRuO_6 (X = V, Cr). For the corporate compound, the analysis of density of states (DOS) results suggests that the 3d-t_2_g orbital filling plays a major role in governing the conduction mechanism in these systems. The DOS and magnetic results show that Ba_2XRuO_6 exhibits half-metallic (HM) nature as X = V, where the electronic structure of Ba_2V"I"I"IRu"VO_6 with 3d-t_2_g"2 behaves like that of HM ferrimagnetic (FI), switches to compensate FI insulating behavior as X = Cr, with an extra electron filled 3d-t_2_g"3 in Ba_2Cr"I"I"IRu"VO_6. We find, on consideration of electron correlation (LSDA+U) and spin-orbital coupling (SOC) effects that the electronic structure of Ba_2XRuO_6 takes a HM nature, whereas it is completely transformed to insulating nature once an extra electron filled the 3d-t_2_g orbitals in X = Cr case. Such tuning is accompanied by spin-state hopping of one electron from half-filled spin-state in Ru"V (t_2_g"3 e_g"0) to two and three occupied spin-state in V"I"I"I (t_2_g"2 e_g"0) and Cr"I"I"I (t_2_g"3 e_g"0), respectively. The charge distribution results show that this extra electron occupies chiefly the spin-down of conduction orbitals and plays a major role in determining the electronic and magnetic structures of Ba_2XRuO_6 system. - Highlights: • Half-metallic and insulating natures are observed in Ba_2XRuO_6 (X = V, Cr). • 3d-t_2_g"n orbitals filling plays a major role in governing the conduction mechanism. • LSDA+U method under density functional theory (DFT) is considered. • HM ferrimagnetic (FI) (X = V) switch to compensate FI insulating (X = Cr).

Nonlinear realizations, the orbit method and Kohn's theorem

OpenAIRE

Andrzejewski, K.; Gonera, J.; Kosinski, P.

2012-01-01

The orbit method is used to describe the centre of mass motion of the system of particles with fixed charge to mass ratio moving in homogeneous magnetic field and confined by harmonic potential. The nonlinear action of symmetry group on phase space is identified and compared with the one obtained with the help of Eisenhart lift.

Next-to-leading-order electroweak corrections to the production of three charged leptons plus missing energy at the LHC

Science.gov (United States)

Biedermann, Benedikt; Denner, Ansgar; Hofer, Lars

2017-10-01

The production of a neutral and a charged vector boson with subsequent decays into three charged leptons and a neutrino is a very important process for precision tests of the Standard Model of elementary particles and in searches for anomalous triple-gauge-boson couplings. In this article, the first computation of next-to-leading-order electroweak corrections to the production of the four-lepton final states μ + μ -e+ ν e, {μ}+{μ}-{e}-{\\overline{ν}}e , μ + μ - μ + ν μ , and {μ}+{μ}-{μ}-{\\overline{ν}}_{μ } at the Large Hadron Collider is presented. We use the complete matrix elements at leading and next-to-leading order, including all off-shell effects of intermediate massive vector bosons and virtual photons. The relative electroweak corrections to the fiducial cross sections from quark-induced partonic processes vary between -3% and -6%, depending significantly on the event selection. At the level of differential distributions, we observe large negative corrections of up to -30% in the high-energy tails of distributions originating from electroweak Sudakov logarithms. Photon-induced contributions at next-to-leading order raise the leading-order fiducial cross section by +2%. Interference effects in final states with equal-flavour leptons are at the permille level for the fiducial cross section, but can lead to sizeable effects in off-shell sensitive phase-space regions.

Orthorhombic versus monoclinic symmetry of the charge-ordered state of NaV.sub.2./sub.O.sub.5./sub..

Czech Academy of Sciences Publication Activity Database

van Smaalen, S.; Daniels, P.; Palatinus, Lukáš; Kremer, R. K.

2002-01-01

Roč. 65, č. 6 (2002), 060101/1-060101/4 ISSN 0163-1829 Grant - others:DFG and FCI(DE) XX Institutional research plan: CEZ:AV0Z1010914 Keywords : charge ordering * sodium vanadate * spin-ladder compound Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.327, year: 2002

Mission Analysis for LEO Microwave Power-Beaming Station in Orbital Launch of Microwave Lightcraft

Science.gov (United States)

Myrabo, L. N.; Dickenson, T.

2005-01-01

A detailed mission analysis study has been performed for a 1 km diameter, rechargeable satellite solar power station (SPS) designed to boost 20m diameter, 2400 kg Micr,oWave Lightcraft (MWLC) into low earth orbit (LEO) Positioned in a 476 km daily-repeating oi.bit, the 35 GHz microwave power station is configured like a spinning, thin-film bicycle wheel covered by 30% efficient sola cells on one side and billions of solid state microwave transmitter elements on the other, At the rim of this wheel are two superconducting magnets that can stor,e 2000 G.J of energy from the 320 MW, solar array over a period of several orbits. In preparation for launch, the entire station rotates to coarsely point at the Lightcraft, and then phases up using fine-pointing information sent from a beacon on-board the Lightcraft. Upon demand, the station transmits a 10 gigawatt microwave beam to lift the MWLC from the earth surface into LEO in a flight of several minutes duration. The mission analysis study was comprised of two parts: a) Power station assessment; and b) Analysis of MWLC dynamics during the ascent to orbit including the power-beaming relationships. The power station portion addressed eight critical issues: 1) Drag force vs. station orbital altitude; 2) Solar pressure force on the station; 3) Station orbital lifetime; 4) Feasibility of geo-magnetic re-boost; 5) Beta angle (i..e., sola1 alignment) and power station effective area relationship; 6) Power station percent time in sun vs, mission elapsed time; 7) Station beta angle vs.. charge time; 8) Stresses in station structures.. The launch dynamics portion examined four issues: 1) Ascent mission/trajecto1y profile; 2) MWLC/power-station mission geometry; 3) MWLC thrust angle vs. time; 4) Power station pitch rate during power beaming. Results indicate that approximately 0 58 N of drag force acts upon the station when rotated edge-on to project the minimum frontal area of 5000 sq m. An ion engine or perhaps an electrodynamic

Charging of the Van Allen Probes: Theory and Simulations

Science.gov (United States)

Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Denton, M.

2017-12-01

The electrical charging of spacecraft has been a known problem since the beginning of the space age. Its consequences can vary from moderate (single event upsets) to catastrophic (total loss of the spacecraft) depending on a variety of causes, some of which could be related to the surrounding plasma environment, including emission processes from the spacecraft surface. Because of its complexity and cost, this problem is typically studied using numerical simulations. However, inherent unknowns in both plasma parameters and spacecraft material properties can lead to inaccurate predictions of overall spacecraft charging levels. The goal of this work is to identify and study the driving causes and necessary parameters for particular spacecraft charging events on the Van Allen Probes (VAP) spacecraft. This is achieved by making use of plasma theory, numerical simulations, and on-board data. First, we present a simple theoretical spacecraft charging model, which assumes a spherical spacecraft geometry and is based upon the classical orbital-motion-limited approximation. Some input parameters to the model (such as the warm plasma distribution function) are taken directly from on-board VAP data, while other parameters are either varied parametrically to assess their impact on the spacecraft potential, or constrained through spacecraft charging data and statistical techniques. Second, a fully self-consistent numerical simulation is performed by supplying these parameters to CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC simulations remove some of the assumptions of the theoretical model and also capture the influence of the full geometry of the spacecraft. The CPIC numerical simulation results will be presented and compared with on-board VAP data. This work will set the foundation for our eventual goal of importing the full plasma environment from the LANL-developed SHIELDS framework into CPIC, in order to more accurately

Charge-density-shear-moduli relationships in aluminum-lithium alloys.

Science.gov (United States)

Eberhart, M

2001-11-12

Using the first principles full-potential linear-augmented-Slater-type orbital technique, the energies and charge densities of aluminum and aluminum-lithium supercells have been computed. The experimentally observed increase in aluminum's shear moduli upon alloying with lithium is argued to be the result of predictable changes to aluminum's total charge density, suggesting that simple rules may allow the alloy designer to predict the effects of dilute substitutional elements on alloy elastic response.

Charging in the environment of large spacecraft

International Nuclear Information System (INIS)

Lai, S.T.

1993-01-01

This paper discusses some potential problems of spacecraft charging as a result of interactions between a large spacecraft, such as the Space Station, and its environment. Induced electric field, due to VXB effect, may be important for large spacecraft at low earth orbits. Differential charging, due to different properties of surface materials, may be significant when the spacecraft is partly in sunshine and partly in shadow. Triple-root potential jump condition may occur because of differential charging. Sudden onset of severe differential charging may occur when an electron or ion beam is emitted from the spacecraft. The beam may partially return to the ''hot spots'' on the spacecraft. Wake effects, due to blocking of ambient ion trajectories, may result in an undesirable negative potential region in the vicinity of a large spacecraft. Outgassing and exhaust may form a significant spacecraft induced environment; ionization may occur. Spacecraft charging and discharging may affect the electronic components on board

Local orbit feedback

International Nuclear Information System (INIS)

Anon.

1991-01-01

Critically aligned experiments are sensitive to small changes in the electron beam orbit. At the NSLS storage rings, the electron beam and photon beam motions have been monitored over the past several years. In the survey conducted in 1986 by the NSLS Users Executive Committee, experimenters requested the vertical beam position variation and the vertical angle variation, within a given fill, remain within 10 μm and 10 μr, respectively. This requires improvement in the beam stability by about one order of magnitude. At the NSLS and SSRL storage rings, the beam that is originally centered on the position monitor by a dc orbit correction is observed to have two kinds of motion: a dc drift over a storage period of several hours and a beam bounce about its nominal position. These motions are a result of the equilibrium orbit not being held perfectly stable due to time-varying errors introduced into the magnetic guide field by power supplies, mechanical vibration of the magnets, cooling water temperature variations, etc. The approach to orbit stabilization includes (1) identifying and suppressing as many noise sources on the machine as possible, (2) correcting the beam position globally (see Section 6) by controlling a number of correctors around the circumference of the machine, and (3) correcting the beam position and angle at a given source location by position feedback using local detectors and local orbit bumps. The third approach, called Local Orbit Feedback will be discussed in this section

Microscopic theoretical study of Raman spectra in charge and spin ordered cuprate systems

International Nuclear Information System (INIS)

Raj, B.K.; Panda, S.K.; Rout, G.C.

2013-01-01

Highlights: • The model calculation treats CDW interaction as pseudogap for cuprates. • The interplay of Raman active CDW-SDW mixed modes are investigated. • Independent CDW and SDW gap values can be determined from experimental data. -- Abstract: Raman scattering is one of the most powerful methods to investigate the electron as well as the phonon excitations in the systems. In this communication, we present a theoretical study of Raman scattering in the normal state of the high-T C systems in the under-doped region displaying the interplay of the spin-density-wave (SDW) and charge-density-wave (CDW) interactions. The SDW order arises from the repulsive Coulomb interaction of electrons, while the CDW order arises due to strong electron–phonon interaction giving rise to Fermi surface instability. We calculate phonon response function in order to examine the possibility of observing the SDW excitation mode in presence of the CDW interaction present in the same conduction band. The Raman scattering intensity is calculated from the imaginary part of the phonon Green’s function assigning an arbitrary spectral width. The spectral density function displays two mixed modes of excitation peaks at energies 2(Δ c ± Δ s ). The evolution of excitation peaks are investigated by varying CDW coupling, SDW coupling and the phonon momentum transfer energy

Microscopic theoretical study of Raman spectra in charge and spin ordered cuprate systems

Energy Technology Data Exchange (ETDEWEB)

Raj, B. K. [Dept. of Physics, Govt. Autonomous College, Angul, Orissa (India); Panda, S. K. [KD Science College, Pochilima, Hinjilicut, 761 101 Ganjam, Orissa (India); Rout, G.C., E-mail: gcr@iopb.res.in [Condensed Matter Physics Group, PG Dept. of Applied Physics and Ballistics, FM University, Balasore 756 019 (India)

2013-09-15

Highlights: • The model calculation treats CDW interaction as pseudogap for cuprates. • The interplay of Raman active CDW-SDW mixed modes are investigated. • Independent CDW and SDW gap values can be determined from experimental data. -- Abstract: Raman scattering is one of the most powerful methods to investigate the electron as well as the phonon excitations in the systems. In this communication, we present a theoretical study of Raman scattering in the normal state of the high-T{sub C} systems in the under-doped region displaying the interplay of the spin-density-wave (SDW) and charge-density-wave (CDW) interactions. The SDW order arises from the repulsive Coulomb interaction of electrons, while the CDW order arises due to strong electron–phonon interaction giving rise to Fermi surface instability. We calculate phonon response function in order to examine the possibility of observing the SDW excitation mode in presence of the CDW interaction present in the same conduction band. The Raman scattering intensity is calculated from the imaginary part of the phonon Green’s function assigning an arbitrary spectral width. The spectral density function displays two mixed modes of excitation peaks at energies 2(Δ{sub c} ± Δ{sub s}). The evolution of excitation peaks are investigated by varying CDW coupling, SDW coupling and the phonon momentum transfer energy.

Topological charge algebra of optical vortices in nonlinear interactions.

Science.gov (United States)

Zhdanova, Alexandra A; Shutova, Mariia; Bahari, Aysan; Zhi, Miaochan; Sokolov, Alexei V

2015-12-28

We investigate the transfer of orbital angular momentum among multiple beams involved in a coherent Raman interaction. We use a liquid crystal light modulator to shape pump and Stokes beams into optical vortices with various integer values of topological charge, and cross them in a Raman-active crystal to produce multiple Stokes and anti-Stokes sidebands. We measure the resultant vortex charges using a tilted-lens technique. We verify that in every case the generated beams' topological charges obey a simple relationship, resulting from angular momentum conservation for created and annihilated photons, or equivalently, from phase-matching considerations for multiple interacting beams.

Quantum nano ring composed of quantum dots as a source of pure persistent spin or charge current

International Nuclear Information System (INIS)

Eslami, L.; Faizabadi, E.; Ahmadi, S.

2016-01-01

Spin-dependent persistent current in a quantum ring constituted by two normal and one magnetic quantum dots, in the presence of Rashba spin–orbit interaction is studied by using Green function technique. It is shown that the presence of the magnetic quantum dot breaks the degeneracy of the density of states of electrons with different spin states. Besides, the Rashba spin–orbit interaction along with the magnetic quantum dot develops tunable persistent spin and charge currents. Moreover, the persistent charge current induces a fully adjustable magnetic flux whose direction and magnitude can be tuned by altering the strength of the Rashba spin–orbit interaction. - Highlights: • An array of normal and magnetic quantum dots with Rashba effect is studied. • Spin-dependent persistent current and DOS are studied using Green function method. • The magnetic quantum dot breaks degeneracy of DOS of up and down spin electrons. • The persistent spin and charge currents are tuned by adjusting the Rashba constant. • The persistent charge current induces tunable magnetic field at the center of ring.

Charge Transfer in Collisions of S^4+ with H.

Science.gov (United States)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic hydrogen were investigated for energies between 1 meV/u and 10 MeV/u using the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially-stripped S^3+ excited classical states. Hydrogen target isotope effects were explored and rate coefficients for temperatures between 100 and 10^6 K will be presented

Superconductivity, Mott-Hubbard states, and molecular orbital order in intercalated fullerides

CERN Document Server

Iwasa, Y

2003-01-01

This article reviews the current status of chemically doped fullerene superconductors and related compounds, with particular focus on Mott-Hubbard states and the role of molecular orbital degeneracy. Alkaline-earth metal fullerides produce superconductors of several kinds, all of which have states with higher valence than (C sub 6 sub 0) sup 6 sup - , where the second lowest unoccupied molecular orbital (the LUMO + 1 state) is filled. Alkali-metal-doped fullerides, on the other hand, afford superconductors only at the stoichiometry A sub 3 C sub 6 sub 0 (A denotes alkali metal) and in basically fcc structures. The metallicity and superconductivity of A sub 3 C sub 6 sub 0 compounds are destroyed either by reduction of the crystal symmetry or by change in the valence of C sub 6 sub 0. This difference is attributed to the narrower bandwidth in the A sub 3 C sub 6 sub 0 system, causing electronic instability in Jahn-Teller insulators and Mott-Hubbard insulators. The latter metal-insulator transition is driven by...

Penetration of charged particles through ordered isotropic matter

International Nuclear Information System (INIS)

Sigmund, P.

1977-01-01

A brief summary of some new results on fluctuation phenomena in particle penetration is presented. The results include collision statistics, positive and negative correlations and a framework for the treatment of cumulative effects in particle penetration. Incorporation of projectile and target states in the description and energy-loss straggling are discussed. Small-angle multiple scattering is considered and a comment made on ionic charge states. (B.R.H.)

ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

NARCIS (Netherlands)

Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what

Large tunable image-charge effects in single-molecule junctions.

NARCIS (Netherlands)

Perrin, M.L.; Verzijl, C.J.; Martin, C.A.; Shaikh, A.J.; Eelkema, R.; Esch, J.H. van; Ruitenbeek, J.M. van; Thijssen, J.M.; Zant, H.S. van der; Dulic, D.

2013-01-01

Metal/organic interfaces critically determine the characteristics of molecular electronic devices, because they influence the arrangement of the orbital levels that participate in charge transport. Studies on self-assembled monolayers show molecule-dependent energy-level shifts as well as

Point charges optimally placed to represent the multipole expansion of charge distributions.

Directory of Open Access Journals (Sweden)

Ramu Anandakrishnan

Full Text Available We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance 2x the extent of the charge distribution--the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom, is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å is half that of the point multipole expansion up to the octupole

Dealing with Uncertainties in Initial Orbit Determination

Science.gov (United States)

Armellin, Roberto; Di Lizia, Pierluigi; Zanetti, Renato

2015-01-01

A method to deal with uncertainties in initial orbit determination (IOD) is presented. This is based on the use of Taylor differential algebra (DA) to nonlinearly map the observation uncertainties from the observation space to the state space. When a minimum set of observations is available DA is used to expand the solution of the IOD problem in Taylor series with respect to measurement errors. When more observations are available high order inversion tools are exploited to obtain full state pseudo-observations at a common epoch. The mean and covariance of these pseudo-observations are nonlinearly computed by evaluating the expectation of high order Taylor polynomials. Finally, a linear scheme is employed to update the current knowledge of the orbit. Angles-only observations are considered and simplified Keplerian dynamics adopted to ease the explanation. Three test cases of orbit determination of artificial satellites in different orbital regimes are presented to discuss the feature and performances of the proposed methodology.

Quantum structural approach to high-Tc superconductivity theory: Herzberg-Teller, Renner-Teller, Jahn-Teller effects and intervalent geminal charge transfer

International Nuclear Information System (INIS)

Chiu, Y.

1997-01-01

We use quantum molecular structure and spectroscopic thoughts of various possible vibronic interactions for the position space of two-electron geminal orbitals with Bloch sums. Our geminals have different degeneracy from one-electron molecular orbitals and are different from the momentum space of BCS free electrons. Based on Herzberg-Teller expansions, our consideration of the aspect of the Renner-Teller effect for cyclic boundary crystals (instead of the usual linear molecules) involves first-order vibronic interaction with isotope effects different from the second-order electron-phonon energy of BCS theory, bipolaron theory, etc. Our consideration of the Jahn-Teller effect with equal-minimum double-well potential leads to the intervalent charge transfer between two degenerate vibrationally affected electronic structures. Our considerations of different style vibrations other than the antisymmetric vibration for the nearest neighbor (e.g., displaced oscillator, etc.) may possibly be related to the case of special chemical structures with special doping and special coherence length. Our simple structural illustrations of such different vibronic Renner-Teller, Jahn-Teller effects and intervalent charge transfer (of La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7-x ) may promote some possible thoughts of quantum chemical structures compared and mixed with the physical treatments of special high-T c superconductors. copyright 1997 The American Physical Society

Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory.

Science.gov (United States)

Schweigert, Igor V; Bartlett, Rodney J

2008-09-28

Adding a fraction of the nonlocal exchange operator to the local orbital-dependent exchange potential improves the many-body perturbation expansion based on the Kohn-Sham determinant. The effect of such a hybrid scheme on the performance of the orbital-dependent correlation functional from the second-order perturbation theory (PT2H) is investigated numerically. A small fraction of the nonlocal exchange is often sufficient to ensure the existence of the self-consistent solution for the PT2H potential. In the He and Be atoms, including 37% of the nonlocal exchange leads to the correlation energies and electronic densities that are very close to the exact ones. In molecules, varying the fraction of the nonlocal exchange may result in the PT2H energy closely reproducing the CCSD(T) value; however such a fraction depends on the system and does not always result in an accurate electronic density. We also numerically verify that the "semicanonical" perturbation series includes most of the beneficial effects of the nonlocal exchange without sacrificing the locality of the exchange potential.

Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

Energy Technology Data Exchange (ETDEWEB)

Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

2015-10-01

Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

Assessment and Control of Spacecraft Charging Risks on the International Space Station

Science.gov (United States)

Koontz, Steve; Valentine, Mark; Keeping, Thomas; Edeen, Marybeth; Spetch, William; Dalton, Penni

2004-01-01

The International Space Station (ISS) operates in the F2 region of Earth's ionosphere, orbiting at altitudes ranging from 350 to 450 km at an inclination of 51.6 degrees. The relatively dense, cool F2 ionospheric plasma suppresses surface charging processes much of the time, and the flux of relativistic electrons is low enough to preclude deep dielectric charging processes. The most important spacecraft charging processes in the ISS orbital environment are: 1) ISS electrical power system interactions with the F2 plasma, 2) magnetic induction processes resulting from flight through the geomagnetic field and, 3) charging processes that result from interaction with auroral electrons at high latitude. Recently, the continuing review and evaluation of putative ISS charging hazards required by the ISS Program Office revealed that ISS charging could produce an electrical shock hazard to the ISS crew during extravehicular activity (EVA). ISS charging risks are being evaluated in an ongoing measurement and analysis campaign. The results of ISS charging measurements are combined with a recently developed model of ISS charging (the Plasma Interaction Model) and an exhaustive analysis of historical ionospheric variability data (ISS Ionospheric Specification) to evaluate ISS charging risks using Probabilistic Risk Assessment (PRA) methods. The PRA combines estimates of the frequency of occurrence and severity of the charging hazards with estimates of the reliability of various hazard controls systems, as required by NASA s safety and risk management programs, to enable design and selection of a hazard control approach that minimizes overall programmatic and personnel risk. The PRA provides a quantitative methodology for incorporating the results of the ISS charging measurement and analysis campaigns into the necessary hazard reports, EVA procedures, and ISS flight rules required for operating ISS in a safe and productive manner.

Intrinsic space charge resonances and the space charge limit

International Nuclear Information System (INIS)

Parzen, G.

1990-01-01

A study has been done of the dependence of the space charge limit on the choice of ν-values using a simulation program. This study finds a strong dependence of the space charge limit on the location of the ν-values relative to the intrinsic space charge resonances, which are driven by the space charge forces due to the beam itself. Four accelerators were studied. For some of these accelerators the study suggest that the space charge limit can be increased by about a factor of 2 proper choice of the ν-values. The lower order 1/2 and 1/4 intrinsic resonances appear to be the important resonances. There is some evidence for effects due to the 1/6 and 1/8 intrinsic resonances, particularly for larger synchrotrons. 5 figs

SPACE CHARGE SIMULATION METHODS INCORPORATED IN SOME MULTI - PARTICLE TRACKING CODES AND THEIR RESULTS COMPARISON

International Nuclear Information System (INIS)

BEEBE - WANG, J.; LUCCIO, A.U.; D IMPERIO, N.; MACHIDA, S.

2002-01-01

Space charge in high intensity beams is an important issue in accelerator physics. Due to the complicity of the problems, the most effective way of investigating its effect is by computer simulations. In the resent years, many space charge simulation methods have been developed and incorporated in various 2D or 3D multi-particle-tracking codes. It has becoming necessary to benchmark these methods against each other, and against experimental results. As a part of global effort, we present our initial comparison of the space charge methods incorporated in simulation codes ORBIT++, ORBIT and SIMPSONS. In this paper, the methods included in these codes are overviewed. The simulation results are presented and compared. Finally, from this study, the advantages and disadvantages of each method are discussed

SPACE CHARGE SIMULATION METHODS INCORPORATED IN SOME MULTI - PARTICLE TRACKING CODES AND THEIR RESULTS COMPARISON.

Energy Technology Data Exchange (ETDEWEB)

BEEBE - WANG,J.; LUCCIO,A.U.; D IMPERIO,N.; MACHIDA,S.

2002-06-03

Space charge in high intensity beams is an important issue in accelerator physics. Due to the complicity of the problems, the most effective way of investigating its effect is by computer simulations. In the resent years, many space charge simulation methods have been developed and incorporated in various 2D or 3D multi-particle-tracking codes. It has becoming necessary to benchmark these methods against each other, and against experimental results. As a part of global effort, we present our initial comparison of the space charge methods incorporated in simulation codes ORBIT++, ORBIT and SIMPSONS. In this paper, the methods included in these codes are overviewed. The simulation results are presented and compared. Finally, from this study, the advantages and disadvantages of each method are discussed.

Carbon Nanotube/Conductive Additive/Space Durable Polymer Nanocomposite Films for Electrostatic Charge Dissipation

Science.gov (United States)

Smith, Joseph G., Jr.; Watson, Kent A.; Delozier, Donavon M.; Connell, John W.

2003-01-01

Thin film membranes of space environmentally stable polymeric materials possessing low color/solar absorptivity (alpha) are of interest for potential applications on Gossamer spacecraft. In addition to these properties, sufficient electrical conductivity is required in order to dissipate electrostatic charge (ESC) build-up brought about by the charged orbital environment. One approach to achieve sufficient electrical conductivity for ESC mitigation is the incorporation of single wall carbon nanotubes (SWNTs). However, when the SWNTs are dispersed throughout the polymer matrix, the nanocomposite films tend to be significantly darker than the pristine material resulting in a higher alpha. The incorporation of conductive additives in combination with a decreased loading level of SWNTs is one approach for improving alpha while retaining conductivity. Taken individually, the low loading level of conductive additives and SWNTs is insufficient in achieving the percolation level necessary for electrical conductivity. When added simultaneously to the film, conductivity is achieved through a synergistic effect. The chemistry, physical, and mechanical properties of the nanocomposite films will be presented.

Evidence of a splitting of the Mn-O distance and of a large lattice disorder in the charge-ordered phase of LiMn2O4 obtained by EXAFS

International Nuclear Information System (INIS)

Paolone, A.; Castellano, C.; Cantelli, R.; Rousse, G.; Masquelier, C.

2003-01-01

We measured the extended x-ray-absorption fine-structure (EXAFS) spectrum of LiMn 2 O 4 below room temperature in the charge-ordered phase and for comparison at room temperature in the cubic phase. By means of a standard fit procedure we verified that, as reported by neutron-scattering experiments, also at the local level there are two different Mn-O distances below room temperature, which correspond to the surroundings of well-defined Mn 3+ and Mn 4+ ions. This result is different from the ones obtained from previous EXAFS measurements and confirms the physical picture of the phase transition caused by the ordering of charges in contrast to a cooperative Jahn-Teller phenomenon. Moreover a large lattice disorder in the charge-ordered state, which determines a significant static contribution to the EXAFS Debye-Waller factor, has been found. This last result can be considered as the EXAFS spectral mark of charge-order transitions, even in those materials in which there is no clear evidence of the splitting of bond lengths

Competition between heavy fermion and Kondo interaction in isoelectronic A-site-ordered perovskites

Energy Technology Data Exchange (ETDEWEB)

Meyers, D.; Middey, S.; Cheng, J. -G.; Mukherjee, Swarnakamal; Gray, B. A.; Cao, Yanwei; Zhou, J. -S.; Goodenough, J. B.; Choi, Yongseong; Haskel, D.; Freeland, J. W.; Saha-Dasgupta, T.; Chakhalian, J.

2014-12-17

With current research efforts shifting towards the 4d and 5d transition metal oxides, understanding the evolution of the electronic and magnetic structure as one moves away from 3d materials is of critical importance. Here we perform X-ray spectroscopy and electronic structure calculations on A-site-ordered perovskites with Cu in the A-site and the B-sites descending along the ninth group of the periodic table to elucidate the emerging properties as d-orbitals change from partially filled 3d to 4d to 5d. The results show that when descending from Co to Ir, the charge transfers from the cuprate-like Zhang-Rice state on Cu to the t2g orbital of the B site. As the Cu d-orbital occupation approaches the Cu2þ limit, a mixed valence state in CaCu3Rh4O12 and heavy fermion state in CaCu3Ir4O12 are obtained. The investigated d-electron compounds are mapped onto the Doniach phase diagram of the competing RKKY and Kondo interactions developed for the f-electron systems.

Coulombic charge ice

Science.gov (United States)

McClarty, P. A.; O'Brien, A.; Pollmann, F.

2014-05-01

We consider a classical model of charges ±q on a pyrochlore lattice in the presence of long-range Coulomb interactions. This model first appeared in the early literature on charge order in magnetite [P. W. Anderson, Phys. Rev. 102, 1008 (1956), 10.1103/PhysRev.102.1008]. In the limit where the interactions become short ranged, the model has a ground state with an extensive entropy and dipolar charge-charge correlations. When long-range interactions are introduced, the exact degeneracy is broken. We study the thermodynamics of the model and show the presence of a correlated charge liquid within a temperature window in which the physics is well described as a liquid of screened charged defects. The structure factor in this phase, which has smeared pinch points at the reciprocal lattice points, may be used to detect charge ice experimentally. In addition, the model exhibits fractionally charged excitations ±q/2 which are shown to interact via a 1/r potential. At lower temperatures, the model exhibits a transition to a long-range ordered phase. We are able to treat the Coulombic charge ice model and the dipolar spin ice model on an equal footing by mapping both to a constrained charge model on the diamond lattice. We find that states of the two ice models are related by a staggering field which is reflected in the energetics of these two models. From this perspective, we can understand the origin of the spin ice and charge ice ground states as coming from a dipolar model on a diamond lattice. We study the properties of charge ice in an external electric field, finding that the correlated liquid is robust to the presence of a field in contrast to the case of spin ice in a magnetic field. Finally, we comment on the transport properties of Coulombic charge ice in the correlated liquid phase.

Description of charging/discharging processes of the LISA sensors

International Nuclear Information System (INIS)

Sumner, Tim; Araujo, Henrique; Davidge, David; Howard, Alex; Lee, Chris; Rochester, Geoff; Shaul, Diana; Wass, Peter

2004-01-01

The next generation of gravitational experiments in space is likely to use completely isolated proof-masses. For example, LISA uses proof-masses as mirrors in interferometers for gravitational wave astronomy (Bender et al 1998 Pre-phase A report MPG-233 pp 1-191) and STEP uses proof-masses in Earth orbit for an equivalence principle test (Sumner et al 2003 at press). Nongravitational forces will act on these proof-masses if they become charged, through the action of cosmic rays and solar flare particles for example. This paper examines the consequences of proof-mass charging for LISA, and presents results from using GEANT4 to assess the charging processes. Finally, there is a brief discussion of a means of controlling the charge down to an acceptable level

Real-time orbit feedback at the APS

International Nuclear Information System (INIS)

Carwardine, J.

1998-01-01

A real-time orbit feedback system has been implemented at the Advanced Photon Source in order to meet the stringent orbit stability requirements. The system reduces global orbit motion below 30Hz by a factor of four to below 5 microm rms horizontally and 2 microm rms vertically. This paper focuses on dynamic orbit stability and describes the all-digital orbit feedback system that has been implemented at the APS. Implementation of the global orbit feedback system is described and its latest performance is presented. Ultimately, the system will provide local feedback at each x-ray source point using installed photon BPMs to measure x-ray beam position and angle directly. Technical challenges associated with local feedback and with dynamics of the associated corrector magnets are described. The unique diagnostic capabilities provided by the APS system are discussed with reference to their use in identifying sources of the underlying orbit motion

Design rules for charge-transport efficient host materials for phosphorescent organic light-emitting diodes.

Science.gov (United States)

May, Falk; Al-Helwi, Mustapha; Baumeier, Björn; Kowalsky, Wolfgang; Fuchs, Evelyn; Lennartz, Christian; Andrienko, Denis

2012-08-22

The use of blue phosphorescent emitters in organic light-emitting diodes (OLEDs) imposes demanding requirements on a host material. Among these are large triplet energies, the alignment of levels with respect to the emitter, the ability to form and sustain amorphous order, material processability, and an adequate charge carrier mobility. A possible design strategy is to choose a π-conjugated core with a high triplet level and to fulfill the other requirements by using suitable substituents. Bulky substituents, however, induce large spatial separations between conjugated cores, can substantially reduce intermolecular electronic couplings, and decrease the charge mobility of the host. In this work we analyze charge transport in amorphous 2,8-bis(triphenylsilyl)dibenzofuran, an electron-transporting material synthesized to serve as a host in deep-blue OLEDs. We show that mesomeric effects delocalize the frontier orbitals over the substituents recovering strong electronic couplings and lowering reorganization energies, especially for electrons, while keeping energetic disorder small. Admittance spectroscopy measurements reveal that the material has indeed a high electron mobility and a small Poole-Frenkel slope, supporting our conclusions. By linking electronic structure, molecular packing, and mobility, we provide a pathway to the rational design of hosts with high charge mobilities.

A simple formula for the conserved charges of soliton theories

International Nuclear Information System (INIS)

Ferreira, Luiz Agostinho; Zakrzewski, Wojtek J.

2007-01-01

We present a simple formula for all the conserved charges of soliton theories, evaluated on the solutions belonging to the orbit of the vacuum under the group of dressing transformations. For pedagogical reasons we perform the explicit calculations for the case of the sine-Gordon model, taken as a prototype of soliton theories. We show that the energy and momentum are boundary terms for all the solutions on the orbit of the vacuum. That orbit includes practically all the solutions of physical interest, namely solitons, multi-solitons, breathers, and combinations of solitons and breathers. The example of the mKdV equation is also given explicitly

Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites

International Nuclear Information System (INIS)

Lufaso, M.W.; Woodward, P.M.

2004-01-01

In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn-Teller (J-T) ion on the octahedral site and quaternary A 2 MM'X 6 perovskites containing a J-T ion on one-half of the octahedral sites have been examined. In AMX 3 perovskites, the tendency is for the occupied 3d 3x 2 -r 2 and 3d 3z 2 -r 2 orbitals to order in the ac plane, as exemplified by the crystal structures of LaMnO 3 and KCuF 3 . This arrangement maintains a favorable coordination environment for the anion sites. In AMX 3 perovskites, octahedral tilting tends to enhance the magnitude of the J-T distortions. In A 2 MM'X 6 perovskites, the tendency is for the occupied 3d 3z 2 -r 2 orbitals to align parallel to the c axis. This pattern maintains a favorable coordination environment about the symmetric M'-cation site. The orbital ordering found in rock-salt ordered A 2 MM'X 6 perovskites is compatible with octahedral rotations about the c axis (Glazer tilt system a 0 a 0 c - ) but appears to be incompatible with GdFeO 3 -type octahedral tilting (tilt system - b + a - ). (orig.)

Modelling of charged satellite motion in Earth's gravitational and magnetic fields

Science.gov (United States)

Abd El-Bar, S. E.; Abd El-Salam, F. A.

2018-05-01

In this work Lagrange's planetary equations for a charged satellite subjected to the Earth's gravitational and magnetic force fields are solved. The Earth's gravity, and magnetic and electric force components are obtained and expressed in terms of orbital elements. The variational equations of orbit with the considered model in Keplerian elements are derived. The solution of the problem in a fully analytical way is obtained. The temporal rate of changes of the orbital elements of the spacecraft are integrated via Lagrange's planetary equations and integrals of the normalized Keplerian motion obtained by Ahmed (Astron. J. 107(5):1900, 1994).

On the gauge orbit space stratification: a review

International Nuclear Information System (INIS)

Rudolph, G.; Schmidt, M.; Volobuev, I.P.

2002-01-01

First, we review the basic mathematical structures and results concerning the gauge orbit space stratification. This includes general properties of the gauge group action, fibre bundle structures induced by this action, basic properties of the stratification and the natural Riemannian structures of the strata. In the second part, we study the stratification for theories with gauge group SU(n) in spacetime dimension 4. We develop a general method for determining the orbit types and their partial ordering, based on the 1-1 correspondence between orbit types and holonomy-induced Howe subbundles of the underlying principal SU(n)-bundle. We show that the orbit types are classified by certain cohomology elements of spacetime satisfying two relations and that the partial ordering is characterized by a system of algebraic equations. Moreover, operations for generating direct successors and direct predecessors are formulated, which allow one to construct the set of orbit types, starting from the principal type. Finally, we discuss an application to nodal configurations in Yang-Mills-Chern-Simons theory. (author)

Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Wu, Qinghe [Department of Chemistry, Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Guangdong 515063, P. R. China; Zhao, Donglin [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Goldey, Matthew B. [Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Filatov, Alexander S. [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Sharapov, Valerii [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Colón, Yamil J. [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Cai, Zhengxu [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Chen, Wei [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; de Pablo, Juan [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Galli, Giulia [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Yu, Luping [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States

2018-03-02

Two types of electron acceptors were synthesized by coupling two kinds of electron-rich cores with four equivalent perylene diimides (PDIs) at the a position. With fully aromatic cores, TPB and TPSe have pi-orbitals spread continuously over the whole aromatic conjugated backbone, unlike TPC and TPSi, which contain isolated PDI units due to the use of a tetrahedron carbon or silicon linker. Density functional theory calculations of the projected density of states showed that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for TPB are localized in separate regions of space. Further, the LUMO of TPB shows a greater contribution from the orbitals belonging to the connective core of the molecules than that of TPC. Overall, the properties of the HOMO and LUMO point at increased intra-molecular delocalization of negative charge carriers for TPB and TPSe than for TPC and TPSi and hence at a more facile intra-molecular charge transfer for the former. The film absorption and emission spectra showed evidences for the inter -molecular electron delocalization in TPB and TPSe, which is consistent with the network structure revealed by X-ray diffraction studies on single crystals of TPB. These features benefit the formation of charge transfer states and/or facilitate charge transport. Thus, higher electron mobility and higher charge dissociation probabilities under J(sc) condition were observed in blend films of TPB:PTB7-Th and TPSe:PTB7-Th than those in TPC:PTB7Th and TPSi:PTB7-Th blend films. As a result, the J(sc) and fill factor values of 15.02 mA/cm(2), 0.58 and 14.36 mA/cm(2), 0.55 for TPB- and TPSe-based solar cell are observed, whereas those for TPC and TPSi are 11.55 mA/cm2, 0.47 and 10.35 mA/cm(2), 0.42, respectively.

Efficient Identification of Objects Carrying Elements of High-Order Symmetry By Using Correlated Orbital Angular Momentum (OAM States

Directory of Open Access Journals (Sweden)

Sergienko Alexander V.

2014-01-01

The potential for efficient identification of objects carrying elements of high-order symmetry using correlated orbital angular momentum (OAM states is demonstrated. The enhanced information capacity of this approach allows the recognition of specific spatial symmetry signatures present in objects with the use of fewer resources than in a conventional pixel-by-pixel imaging, representing the first demonstration of compressive sensing using OAM states. This approach demonstrates the capability to quickly evaluate multiple Fourier coefficients directly linked with the symmetry features of the object. The results suggest further application in small-scale biological contexts where symmetry and small numbers of noninvasive measurements are important.

Controlling the directionality of charge transfer in phthalocyaninato zinc sensitizer for a dye-sensitized solar cell: density functional theory studies.

Science.gov (United States)

Wan, Liang; Qi, Dongdong; Zhang, Yuexing; Jiang, Jianzhuang

2011-01-28

Density functional theory (DFT) calculation on the molecular structures, charge distribution, molecular orbitals, electronic absorption spectra of a series of eight unsymmetrical phthalocyaninato zinc complexes with one peripheral (E)-2-cyano-3-(5-vinylthiophen-2-yl) acrylic acid substituent at 2 or 3 position as an electron-withdrawing group and a different number of electron-donating amino groups at the remaining peripheral positions (9, 10, 16, 17, 23, 24) of the phthalocyanine ring, namely ZnPc-β-A, ZnPc-β-A-I-NH(2), ZnPc-β-A-II-NH(2), ZnPc-β-A-III-NH(2), ZnPc-β-A-I,II-NH(2), ZnPc-β-A-I,III-NH(2), ZnPc-β-A-II,III-NH(2), and ZnPc-β-A-I,II,III-NH(2), reveals the effects of amino groups on the charge transfer properties of these phthalocyanine derivatives with a typical D-π-A electronic structure. The introduction of amino groups was revealed altering of the atomic charge distribution, lifting the frontier molecular orbital level, red-shift of the near-IR bands in the electronic absorption spectra, and finally resulting in enhanced charge transfer directionality for the phthalocyanine compounds. Along with the increase of the peripheral amino groups at the phthalocyanine ring from 0, 2, 4, to 6, the dihedral angle between the phthalocyanine ring and the average plane of the (E)-2-cyano-3-(5-vinylthiophen-2-yl) acrylic acid substituent increases from 0 to 3.3° in an irregular manner. This is in good contrast to the regular and significant change in the charge distribution, destabilization of frontier orbital energies, and red shift of near-IR bands of phthalocyanine compounds along the same order. In addition, comparative studies indicate the smaller effect of incorporating two amino groups onto the 16 and 17 than on 9 and 10 or 23 and 24 peripheral positions of the phthalocyanine ring onto the aforementioned electronic properties, suggesting the least effect on tuning the charge transfer property of the phthalocyanine compound via introducing two

Real-time orbit feedback at the APS

International Nuclear Information System (INIS)

Carwardine, J.A.; Lenkszus, F.R.

1998-01-01

A real-time orbit feedback system has been implemented at the Advanced Photon Source in order to meet the stringent orbit stability requirements. The system reduces global orbit motion below 30 Hz by a factor of four to below 5 μm rms horizontally and 2 μm rms vertically. This paper focuses on dynamic orbit stability and describes the all-digital orbit feedback system that has been implemented at the APS. Implementation of the global orbit feedback system is described and its latest performance is presented. Ultimately, the system will provide local feedback at each x-ray source point using installed photon BPMs to measure x-ray beam position and angle directly. Technical challenges associated with local feedback and with dynamics of the associated corrector magnets are described. The unique diagnostic capabilities provided by the APS system are discussed with reference to their use in identifying sources of the underlying orbit motion. copyright 1998 American Institute of Physics

Real-time orbit feedback at the APS.

Energy Technology Data Exchange (ETDEWEB)

Carwardine, J.

1998-06-18

A real-time orbit feedback system has been implemented at the Advanced Photon Source in order to meet the stringent orbit stability requirements. The system reduces global orbit motion below 30Hz by a factor of four to below 5{micro}m rms horizontally and 2{micro}m rms vertically. This paper focuses on dynamic orbit stability and describes the all-digital orbit feedback system that has been implemented at the APS. Implementation of the global orbit feedback system is described and its latest performance is presented. Ultimately, the system will provide local feedback at each x-ray source point using installed photon BPMs to measure x-ray beam position and angle directly. Technical challenges associated with local feedback and with dynamics of the associated corrector magnets are described. The unique diagnostic capabilities provided by the APS system are discussed with reference to their use in identifying sources of the underlying orbit motion.

Ordering phenomena in transition-metal-oxide heterostructures

International Nuclear Information System (INIS)

Frano Pereira, Alex Manuel

2014-01-01

This doctoral work presents a study of ordered ground states of transition metal oxide compounds and multilayers using resonant elastic soft x-ray scattering. The technique has developed over the last decades and become especially useful when sample sizes are limited like the case of nanometer-scale films and superlattices. By scattering with photon energies on resonance with the element's electronic transitions, it is an element-specific, sensitive tool providing a combination of spectroscopic and spatial information. The thesis is divided into two central topics. The first part focuses on the investigation of perovskite-type, rare-earth nickelate heterostructures. X-rays tuned to the Ni L 3 -edge were used to unveil unprecedented diffraction evidence of long range magnetic order in LaNiO 3 -RXO 3 (RXO 3 = LaAlO 3 , DyScO 3 ) superlattices. We report on the appearance of magnetic order in such systems with a propagation vector of Q SDW = ((1)/(4),(1)/(4),l) in pseudocubic notation, similar to bulk rare earth nickelates with R ≠ La. With LaNiO 3 being paramagnetic in its bulk form, the magnetic Bragg peak is only present in superlattices where the thickness of the LaNiO 3 layers approaches the 2-dimensional limit. Besides the thickness dependence, the magnetic order was probed on samples grown on varying strain-inducing substrates. Azimuthal scans around Q SDW were done to determine the orientation of the spin spiral under these different conditions. We will explain how the reorientation of the spins can be understood by the magneto-crystalline anisotropy which is determined by the relative occupation of the Ni d-orbitals via spin-orbit coupling. First steps towards control of the spin spiral's orientation will be outlined, and along with the high remanent conductivity found in the magnetic spiral state, an outlook for metallic antiferromagnetic spintronics will be discussed. The second part of this thesis will address the observation of charge density

Spin-orbit coupling effects, interactions and superconducting transport in nanostructures

Energy Technology Data Exchange (ETDEWEB)

Schulz, Andreas

2010-05-15

In the present thesis we study the electronic properties of several low dimensional nanoscale systems. In the first part, we focus on the combined effect of spin-orbit coupling (SOI) and Coulomb interaction in carbon nanotubes (CNTs) as well as quantum wires. We derive low energy theories for both systems, using the bosonization technique and obtain analytic expressions for the correlation functions that allow us to compute basically all observables of interest. We first focus on CNTs and show that a four channel Luttinger liquid theory can still be applied when SOI effects are taken into account. Compared to previous formulations, the low-energy Hamiltonian is characterized by different Luttinger parameters and plasmon velocities. Notably, the charge and spin modes are coupled. Our theory allows us to compute an asymptotically exact expression for the spectral function of a metallic carbon nanotube. We find modifications to the previously predicted structure of the spectral function that can in principle be tested by photoemission spectroscopy experiments. We develop a very similar low energy description for an interacting quantum wire subject to Rashba spin-orbit coupling (RSOC). We derive a two component Luttinger liquid Hamiltonian in the presence of RSOC, taking into account all e-e interaction processes allowed by the conservation of total momentum. The effective low energy Hamiltonian includes an additional perturbation due to intraband backscattering processes with band flip. Within a one-loop RG scheme, this perturbation is marginally irrelevant. The fixed point model is then still a two channel Luttinger liquid, albeit with a non standard form due to SOI. Again, the charge and spin mode are coupled. Using our low energy theory, we address the problem of the RKKY interaction in an interacting Rashba wire. The coupling of spin and charge modes due to SO effects implies several modifications, e.g. the explicit dependence of the power-law decay exponent of

Spin-orbit coupling effects, interactions and superconducting transport in nanostructures

International Nuclear Information System (INIS)

Schulz, Andreas

2010-05-01

In the present thesis we study the electronic properties of several low dimensional nanoscale systems. In the first part, we focus on the combined effect of spin-orbit coupling (SOI) and Coulomb interaction in carbon nanotubes (CNTs) as well as quantum wires. We derive low energy theories for both systems, using the bosonization technique and obtain analytic expressions for the correlation functions that allow us to compute basically all observables of interest. We first focus on CNTs and show that a four channel Luttinger liquid theory can still be applied when SOI effects are taken into account. Compared to previous formulations, the low-energy Hamiltonian is characterized by different Luttinger parameters and plasmon velocities. Notably, the charge and spin modes are coupled. Our theory allows us to compute an asymptotically exact expression for the spectral function of a metallic carbon nanotube. We find modifications to the previously predicted structure of the spectral function that can in principle be tested by photoemission spectroscopy experiments. We develop a very similar low energy description for an interacting quantum wire subject to Rashba spin-orbit coupling (RSOC). We derive a two component Luttinger liquid Hamiltonian in the presence of RSOC, taking into account all e-e interaction processes allowed by the conservation of total momentum. The effective low energy Hamiltonian includes an additional perturbation due to intraband backscattering processes with band flip. Within a one-loop RG scheme, this perturbation is marginally irrelevant. The fixed point model is then still a two channel Luttinger liquid, albeit with a non standard form due to SOI. Again, the charge and spin mode are coupled. Using our low energy theory, we address the problem of the RKKY interaction in an interacting Rashba wire. The coupling of spin and charge modes due to SO effects implies several modifications, e.g. the explicit dependence of the power-law decay exponent of

Thermal evolution of the spin ordering at the concomitant spin–orbital rearrangement temperature in RVO{sub 3} (R=Lu, Yb and Tm)

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Tapati, E-mail: tapati.sarkar@angstrom.uu.se [Department of Engineering Sciences, Uppsala University, Box 534, SE-75121 Uppsala (Sweden); Ivanov, Sergey A. [Department of Engineering Sciences, Uppsala University, Box 534, SE-75121 Uppsala (Sweden); Center of Materials Science, Karpov Institute of Physical Chemistry, 105064 Moscow K-64 (Russian Federation); Bazuev, G.V. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Science, 620999 Ekaterinburg GSP-145 (Russian Federation); Nordblad, Per; Mathieu, Roland [Department of Engineering Sciences, Uppsala University, Box 534, SE-75121 Uppsala (Sweden)

2016-07-01

Synthesis, crystal structure and magnetization measurements of phase pure polycrystalline RVO{sub 3} (R=Lu, Yb and Tm) are reported. The compounds were stabilized in the orthorhombic structure by thermal treatment of the respective precursors (RVO{sub 4}) in a reducing atmosphere. Special pressure treatment was carried out during the synthesis to ensure phase pure samples without secondary phases. Magnetization measurements reveal the presence of two spin ordering temperatures in the samples. Interestingly, at the lower spin ordering temperature, T{sub SO2}, the uncompensated excess moment of the antiferromagnetic spin structure has different field dependences above and below T{sub SO2}, causing a jump in the thermal evolution of the magnetization that changes sign with increasing field strength. This jump is associated with the reported magnetic and orbital rearrangement in the samples, and the different spin configurations in the C- and G-type antiferromagnetic structures. - Highlights: • Magnetization measurements of polycrystalline RVO{sub 3} (R=Lu, Yb, Tm) are reported. • The samples have two spin ordering temperatures, T{sub SO1} and T{sub SO2} (T{sub SO1}>T{sub SO2}). • A magnetic field dependent jump of the excess magnetization, ΔM is observed at T{sub SO2.} • The jump in ΔM is associated with magnetic and orbital rearrangement in the samples. • ΔM is probably affected by possible phase coexistence in the samples.

Atomic partial charges on CH{sub 3}NH{sub 3}PbI{sub 3} from first-principles electronic structure calculations

Energy Technology Data Exchange (ETDEWEB)

Madjet, Mohamed E., E-mail: mmadjet@qf.org.qa; El-Mellouhi, Fedwa; Carignano, Marcelo A.; Berdiyorov, Golibjon R. [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, P. O. Box 5825, Doha (Qatar)

2016-04-28

We calculated the partial charges in methylammonium (MA) lead-iodide perovskite CH{sub 3}NH{sub 3}PbI{sub 3} in its different crystalline phases using different first-principles electronic charge partitioning approaches, including the Bader, ChelpG, and density-derived electrostatic and chemical (DDEC) schemes. Among the three charge partitioning methods, the DDEC approach provides chemically intuitive and reliable atomic charges for this material, which consists of a mixture of transition metals, halide ions, and organic molecules. The DDEC charges are also found to be robust against the use of hybrid functionals and/or upon inclusion of spin–orbit coupling or dispersive interactions. We calculated explicitly the atomic charges with a special focus on the dipole moment of the MA molecules within the perovskite structure. The value of the dipole moment of the MA is reduced with respect to the isolated molecule due to charge redistribution involving the inorganic cage. DDEC charges and dipole moment of the organic part remain nearly unchanged upon its rotation within the octahedral cavities. Our findings will be of both fundamental and practical importance, as the accurate and consistent determination of the atomic charges is important in order to understand the average equilibrium distribution of the electrons and to help in the development of force fields for larger scale atomistic simulations to describe static, dynamic, and thermodynamic properties of the material.

Tuning the effective spin-orbit coupling in molecular semiconductors

KAUST Repository

Schott, Sam

2017-05-11

The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifying SOC strengths indirectly through spin relaxation effects has proven difficult due to competing relaxation mechanisms. Here we present a systematic study of the g-tensor shift in molecular semiconductors and link it directly to the SOC strength in a series of high-mobility molecular semiconductors with strong potential for future devices. The results demonstrate a rich variability of the molecular g-shifts with the effective SOC, depending on subtle aspects of molecular composition and structure. We correlate the above g-shifts to spin-lattice relaxation times over four orders of magnitude, from 200 to 0.15 μs, for isolated molecules in solution and relate our findings for isolated molecules in solution to the spin relaxation mechanisms that are likely to be relevant in solid state systems.

Tuning the effective spin-orbit coupling in molecular semiconductors

KAUST Repository

Schott, Sam; McNellis, Erik R.; Nielsen, Christian B.; Chen, Hung-Yang; Watanabe, Shun; Tanaka, Hisaaki; McCulloch, Iain; Takimiya, Kazuo; Sinova, Jairo; Sirringhaus, Henning

2017-01-01

The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifying SOC strengths indirectly through spin relaxation effects has proven difficult due to competing relaxation mechanisms. Here we present a systematic study of the g-tensor shift in molecular semiconductors and link it directly to the SOC strength in a series of high-mobility molecular semiconductors with strong potential for future devices. The results demonstrate a rich variability of the molecular g-shifts with the effective SOC, depending on subtle aspects of molecular composition and structure. We correlate the above g-shifts to spin-lattice relaxation times over four orders of magnitude, from 200 to 0.15 μs, for isolated molecules in solution and relate our findings for isolated molecules in solution to the spin relaxation mechanisms that are likely to be relevant in solid state systems.

Geosynchronous inclined orbits for high-latitude communications

Science.gov (United States)

Fantino, E.; Flores, R. M.; Di Carlo, M.; Di Salvo, A.; Cabot, E.

2017-11-01

We present and discuss a solution to the growing demand for satellite telecommunication coverage in the high-latitude geographical regions (beyond 55°N), where the signal from geostationary satellites is limited or unavailable. We focus on the dynamical issues associated to the design, the coverage, the maintenance and the disposal of a set of orbits selected for the purpose. Specifically, we identify a group of highly inclined, moderately eccentric geosynchronous orbits derived from the Tundra orbit (geosynchronous, eccentric and critically inclined). Continuous coverage can be guaranteed by a constellation of three satellites in equally spaced planes and suitably phased. By means of a high-precision model of the terrestrial gravity field and the relevant environmental perturbations, we study the evolution of these orbits. The effects of the different perturbations on the ground track (which is more important for coverage than the orbital elements themselves) are isolated and analyzed. The physical model and the numerical setup are optimized with respect to computing time and accuracy. We show that, in order to maintain the ground track unchanged, the key parameters are the orbital period and the argument of perigee. Furthermore, corrections to the right ascension of the ascending node are needed in order to preserve the relative orientation of the orbital planes. A station-keeping strategy that minimizes propellant consumption is then devised, and comparisons are made between the cost of a solution based on impulsive maneuvers and one with continuous thrust. Finally, the issue of end-of-life disposal is discussed.

Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.

Science.gov (United States)

Sebastian, S; Sundaraganesan, N; Karthikeiyan, B; Srinivasan, V

2011-02-01

The Fourier transform infrared (FT-IR) and FT-Raman of 4-methyl-2-cyanobiphenyl (4M2CBP) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) method. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge including atomic orbital (GIAO) method. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of 4M2CBP are calculated using HF/6-311G(d,p) method on the finite-field approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ* and π* antibonding orbitals and second order delocalization energies (E2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) approach. Finally the calculations results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra. Copyright © 2010 Elsevier B.V. All rights reserved.

The effect of spin-orbit coupling on magnetoresistance in nonmagnetic organic semiconductors

International Nuclear Information System (INIS)

Zhao Jun-Qing; Ding Meng; Zhang Tian-You; Zhang Ning-Yu; Pang Yan-Tao; Ji Yan-Ju; Chen Ying; Wang Feng-Xiang; Fu Gang

2012-01-01

We investigated the effect of spin-orbit coupling on magnetoresistance in nonmagnetic organic semiconductors. A Lorentz-type magnetoresistance is obtained from spin-orbit coupling-dependent spin precession under the condition of a space-charge-limited current. The magnetoresistance depends on the initial spin orientation of the electron with respect to the hole in electron—hole pairs, and the increasing spin-orbit coupling slows down the change in magnetoresistance with magnetic field. The field dependence, the sign and the saturation value of the magnetoresistance are composite effects of recombination and dissociation rate constants of singlet and triplet electron—hole pairs. The simulated magnetoresistance shows good consistency with the experimental results. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Orbit-Attitude Changes of Objects in Near Earth Space Induced by Natural Charging

Science.gov (United States)

2017-05-02

Program Manager Technical Advisor, Spacecraft Component Technology //SIGNED// JOHN BEAUCHEMIN Chief Engineer, Spacecraft Technology Division...istration (NASA) and the US Air Force to investigate the effects of charging and develop technologies to mitigate the same. Accumulated charges may...e2 [ Sesin f +T (1+ ecos f ) ] (217a) de dt = √ 1− e2 na [ S sin f +T (cos f + cosE) ] (217b) di dt = r cos(ω + f ) na2 √ 1− e2 W (217c) dΩ dt = r sin

Observations on Integral and Continuous U-duality Orbits in N=8 Supergravity

CERN Document Server

Borsten, L; Duff, M J; Ferrara, S; Marrani, A; Rubens, W

2010-01-01

One would often like to know when two a priori distinct extremal black p-brane solutions are in fact U-duality related. In the classical supergravity limit the answer for a large class of theories has been known for some time. However, in the full quantum theory the U-duality group is broken to a discrete subgroup and the question of U-duality orbits in this case is a nuanced matter. In the present work we address this issue in the context of N=8 supergravity in four, five and six dimensions. The purpose of this note is to present and clarify what is currently known about these discrete orbits while at the same time filling in some of the details not yet appearing in the literature. To this end we exploit the mathematical framework of integral Jordan algebras and Freudenthal triple systems. The charge vector of the dyonic black string in D=6 is SO(5,5;Z) related to a two-charge reduced canonical form uniquely specified by a set of two arithmetic U-duality invariants. Similarly, the black hole (string) charge ...

Phase diagram of the restricted primitive model: charge-ordering instability

Directory of Open Access Journals (Sweden)

O.V.Patsahan

2004-01-01

Full Text Available We study the phase behaviour of the restricted primitive model (RPM using a microscopic approach based on the method of collective variables with a reference system. Starting from the Hamiltonian of the RPM we derive the functional of the grand partition function given in terms of the two collective variables: the collective variables ρk and ck describing fluctuations of the total number density and charge density, respectively. Within the framework of the Gaussian approximation we found the boundary of stability with respect to fluctuations of the charge density. It is shown that due to the approximated character of the theory the boundary of stability is very sensitive to the particular choice of the long-range part of potential inside the hard core. This point is discussed in more detail.

Charge transfer in gold--alkali-metal systems

International Nuclear Information System (INIS)

Watson, R.E.; Weinert, M.

1994-01-01

Based on conventional electronegativity arguments, gold--alkali-metal compounds are expected to be among the most ''ionic'' of metallic compounds. The concepts of ionicity and charge transfer are difficult to quantify. However, the changes in bonding in the 50/50 Au--alkali-metal systems between the elemental metals and the compounds are so severe that observations can readily be made concerning their character. The results, as obtained from self-consistent electronic-structure calculations, lead to the apparently odd observation that the electron density at the alkali-metal sites in the compound increases significantly and this involves high l componennts in the charge density. This increase, however, can be attributed to Au-like orbitals spatially overlapping the alkali-metal sites. In a chemical sense, it is reasonable to consider the alkali-metal transferring charge to these Au orbitals. While normally the difference in heats of formation between muffin-tin and full-potential calculations for transition-metal--transition-metal and transition-metal--main-group (e.g., Al) compounds having high site symmetry are small, for the gold--alkali-metal systems, the changes in bonding in the compounds cause differences of ∼0.5 eV/atom between the two classes of potential. Any serious estimate of the electronic structure in these systems must account for these aspherical bonding charges. The origin of the semiconducting behavior of the heavy-alkali-metal Au compounds is shown to arise from a combination of the Au-Au separations and the ionic character of the compounds; the light-alkali-metal Au compounds, with their smaller Au-Au separations, do not have a semiconducting gap. Core-level shifts and isomer shifts are also briefly discussed

Study of the tensor correlation in a neutron-rich sd-shell region with the charge- and parity-projected Hartree-Fock method

International Nuclear Information System (INIS)

Sugimoto, Satoru; Toki, Hiroshi; Ikeda, Kiyomi

2008-01-01

We study the effect of the tensor force on nuclear structure with mean-field and beyond-mean-field methods. An important correlation induced by the tensor force is two-particle-two-hole (2p2h) correlation, which cannot be treated with a usual mean-filed method. To treat the 2p2h tensor correlation, we develop a new framework (charge- and parity-projected Hartree-Fock (CPPHF) method), which is a beyond-mean-field method. In the CPPHF method, we introduce single-particle states with parity and charge mixing. The parity and charge projections are performed on a total wave function before variation. We apply the CPPHF method to oxygen isotopes including neutron-rich ones. The potential energy from the tensor force has the same order of magnitude with that from the LS force and becomes smaller with neutron number, which indicates that excess neutrons do not contribute to the 2p2h tensor correlation significantly. We also study the effect of the tensor force on spin-orbit-splitting (ls-splitting) in a neutron-rich fluorine isotope 23 F. The tensor force reduces the ls-splitting for the proton d-orbits by about 3 MeV. This effect is important to reproduce the experimental value. We also find that the 2p2h tensor correlation does not affect the ls-splitting in 23 F

Estimating maneuvers for precise relative orbit determination using GPS

Science.gov (United States)

Allende-Alba, Gerardo; Montenbruck, Oliver; Ardaens, Jean-Sébastien; Wermuth, Martin; Hugentobler, Urs

2017-01-01

Precise relative orbit determination is an essential element for the generation of science products from distributed instrumentation of formation flying satellites in low Earth orbit. According to the mission profile, the required formation is typically maintained and/or controlled by executing maneuvers. In order to generate consistent and precise orbit products, a strategy for maneuver handling is mandatory in order to avoid discontinuities or precision degradation before, after and during maneuver execution. Precise orbit determination offers the possibility of maneuver estimation in an adjustment of single-satellite trajectories using GPS measurements. However, a consistent formulation of a precise relative orbit determination scheme requires the implementation of a maneuver estimation strategy which can be used, in addition, to improve the precision of maneuver estimates by drawing upon the use of differential GPS measurements. The present study introduces a method for precise relative orbit determination based on a reduced-dynamic batch processing of differential GPS pseudorange and carrier phase measurements, which includes maneuver estimation as part of the relative orbit adjustment. The proposed method has been validated using flight data from space missions with different rates of maneuvering activity, including the GRACE, TanDEM-X and PRISMA missions. The results show the feasibility of obtaining precise relative orbits without degradation in the vicinity of maneuvers as well as improved maneuver estimates that can be used for better maneuver planning in flight dynamics operations.

Applicability of meteor radiant determination methods depending on orbit type. I. High-eccentric orbits

Science.gov (United States)

Svoren, J.; Neslusan, L.; Porubcan, V.

1993-07-01

It is evident that there is no uniform method of calculating meteor radiants which would yield reliable results for all types of cometary orbits. In the present paper an analysis of this problem is presented, together with recommended methods for various types of orbits. Some additional methods resulting from mathematical modelling are presented and discussed together with Porter's, Steel-Baggaley's and Hasegawa's methods. In order to be able to compare how suitable the application of the individual radiant determination methods is, it is necessary to determine the accuracy with which they approximate real meteor orbits. To verify the accuracy with which the orbit of a meteoroid with at least one node at 1 AU fits the original orbit of the parent body, we applied the Southworth-Hawkins D-criterion (Southworth, R.B., Hawkins, G.S.: 1963, Smithson. Contr. Astrophys 7, 261). D0.2 the fit is rather poor and the change of orbit unrealistic. The optimal methods with the smallest values of D for given types of orbits are shown in two series of six plots. The new method of rotation around the line of apsides we propose is very appropriate in the region of small inclinations. There is no doubt that Hasegawa's omega-adjustment method (Hasegawa, I.: 1990, Publ. Astron. Soc. Japan 42, 175) has the widest application. A comparison of the theoretical radiants with the observed radiants of seven known meteor showers is also presented.

Investigation of electronic order using resonant soft X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Schlappa, J.

2006-12-01

The aim of this PhD work was the application of resonant soft X-ray diffraction technique for the investigation of electronic order in transition metal oxides at the TM L{sub 2,3}-edge, trying to obtain a quantitative understanding of the data. The method was first systematically explored through application to a model system in order to test the feasibility of the technique and to understand of how X-ray optical effects have to be taken into account. Two more complex systems were investigated; stripe order in La{sub 1.8}Sr{sub 0.2}NiO{sub 4} and charge and orbital order in Fe{sub 3}O{sub 4}. The main focus of the work was on the spectroscopic potential of the technique, trying to obtain a level of quantitative description of the data. For X-ray absorption spectroscopy (XAS) from transition metal oxides, cluster configuration interaction calculation provides a powerful and realistic microscopic theory. In the frame work of this thesis cluster theory, considering explicit hybridization effects between the TM-ion and the surrounding oxygen ligands, has been applied for the first time to describe resonant diffraction data. (orig.)

Investigation of electronic order using resonant soft X-ray diffraction

International Nuclear Information System (INIS)

Schlappa, J.

2006-01-01

The aim of this PhD work was the application of resonant soft X-ray diffraction technique for the investigation of electronic order in transition metal oxides at the TM L 2,3 -edge, trying to obtain a quantitative understanding of the data. The method was first systematically explored through application to a model system in order to test the feasibility of the technique and to understand of how X-ray optical effects have to be taken into account. Two more complex systems were investigated; stripe order in La 1.8 Sr 0.2 NiO 4 and charge and orbital order in Fe 3 O 4 . The main focus of the work was on the spectroscopic potential of the technique, trying to obtain a level of quantitative description of the data. For X-ray absorption spectroscopy (XAS) from transition metal oxides, cluster configuration interaction calculation provides a powerful and realistic microscopic theory. In the frame work of this thesis cluster theory, considering explicit hybridization effects between the TM-ion and the surrounding oxygen ligands, has been applied for the first time to describe resonant diffraction data. (orig.)

Charge and finite size corrections for virtual photon spectra in second order Born approximation

International Nuclear Information System (INIS)

Durgapal, P.

1982-01-01

The purpose of this work is to investigate the effects of finite nuclear size and charge on the spectrum of virtual photons emitted when a relativistic electron is scattered in the field of an atomic nucleus. The method consisted in expanding the scattering cross section in terms of integrals over the nuclear inelastic form factor with a kernel which was evaluated in second order Born approximation and was derived from the elastic-electron scattering form factor. The kernel could be evaluated analytically provided the elastic form factor contained only poles. For this reason the author used a Yukawa form factor. Before calculating the second order term the author studied the first order term containing finite size effects in the inelastic form factor. The author observed that the virtual photon spectrum is insensitive to the details of the inelastic distribution over a large range of energies and depends only on the transition radius. This gave the author the freedom of choosing an inelastic distribution for which the form factor has only poles and the author chose a modified form of the exponential distribution, which enabled the author to evaluate the matrix element analytically. The remaining integral over the physical momentum transfer was performed numerically. The author evaluated the virtual photon spectra for E1 and M1 transitions for a variety of electron energies using several nuclei and compared the results with the distorted wave calculations. Except for low energy and high Z, the second order results compared well with the distorted wave calculations

Spin and charge controlled by antisymmetric spin-orbit coupling in a triangular-triple-quantum-dot Kondo system

Science.gov (United States)

Koga, M.; Matsumoto, M.; Kusunose, H.

2018-05-01

We study a local antisymmetric spin-orbit (ASO) coupling effect on a triangular-triple-quantum-dot (TTQD) system as a theoretical proposal for a new application of the Kondo physics to nanoscale devices. The electric polarization induced by the Kondo effect is strongly correlated with the spin configurations and molecular orbital degrees of freedom in the TTQD. In particular, an abrupt sign reversal of the emergent electric polarization is associated with a quantum critical point in a magnetic field, which can also be controlled by the ASO coupling that changes the mixing weight of different orbital components in the TTQD ground state.

Photoemission perspective on pseudogap, superconducting fluctuations, and charge order in cuprates: a review of recent progress

Science.gov (United States)

Vishik, I. M.

2018-06-01

In the course of seeking the microscopic mechanism of superconductivity in cuprate high temperature superconductors, the pseudogap phase— the very abnormal ‘normal’ state on the hole-doped side— has proven to be as big of a quandary as superconductivity itself. Angle-resolved photoemission spectroscopy (ARPES) is a powerful tool for assessing the momentum-dependent phenomenology of the pseudogap, and recent technological developments have permitted a more detailed understanding. This report reviews recent progress in understanding the relationship between superconductivity and the pseudogap, the Fermi arc phenomena, and the relationship between charge order and pseudogap from the perspective of ARPES measurements.

Structural studies of charge disproportionation and magnetic order in CaFeO3

International Nuclear Information System (INIS)

Woodward, P.M.; Cox, D.E.; Moshopoulou, E.; Sleight, A.W.; Morimoto, S.

2000-01-01

The crystal and magnetic structures of CaFeO 3 have been determined at 300 and 15 K using synchrotron x-ray and neutron powder-diffraction techniques. At 300 K, CaFeO 3 adopts the GdFeO 3 structure, space group Pbnm with unit-cell dimensions a=5.326 30(4), b=5.352 70(4), and c=7.539 86(6) A. This structure is distorted from the ideal perovskite structure by tilting of the FeO 6 octahedra about [110] and [001]. The average Fe-O distance is 1.922(2) A, and the Fe-O-Fe angles are 158.4(2) deg. and 158.1(1) deg. . At 15 K the crystal structure belongs to space group P2 1 /n with a=5.311 82(3), b=5.347 75(4), c=7.520 58(5) A and β=90.065(1) deg. , and contains two distinct Fe sites. The average Fe-O bond length is 1.872(6) A about the one iron site, and 1.974(6) A about the second site, with bond valence sums of 4.58 and 3.48, respectively. This provides quantitative evidence for charge disproportionation, 2Fe 4+ →Fe 3+ +Fe 5+ , at low temperature. The temperature evolution of the lattice parameters indicates a second- (or higher-) order phase transition from the orthorhombic charge-delocalized state to the monoclinic charge-disproportionated state, beginning just below room temperature. The magnetic structure at 15 K is incommensurate, having a modulation vector [δ,0,δ] with δ ∼0.322, corresponding to one of the directions in the pseudocubic cell. A reasonable fit to the magnetic intensities is obtained with the recently proposed screw spiral structure [S. Kawasaki et al., J. Phys. Soc. Jpn. 67, 1529 (1998)], with Fe moments of 3.5 and 2.5μ B , respectively. However, a comparable fit is given by a sinusoidal amplitude-modulated model in which the Fe moments are directed along [010], which leaves open the possibility that the true magnetic structure may be intermediate between the spiral and sinusoidal models (a fan structure)

Magnetism and Pressure-Induced Superconductivity of Checkerboard-Type Charge-Ordered Molecular Conductor β-(meso-DMBEDT-TTF2X (X = PF6 and AsF6

Directory of Open Access Journals (Sweden)

Yutaka Nishio

2012-11-01

Full Text Available The metallic state of the molecular conductor β-(meso-DMBEDT-TTF2X (DMBEDT-TTF = 2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene-5,6-dihydro-5,6-dimethyl-1,3-dithiolo[4,5-b][1,4]dithiin, X = PF6, AsF6 is transformed into the checkerboard-type charge-ordered state at around 75–80 K with accompanying metal-insulator (MI transition on the anisotropic triangular lattice. With lowering temperatures, the magnetic susceptibility decreases gradually and reveals a sudden drop at the MI transition. By applying pressure, the charge-ordered state is suppressed and superconductivity appears in β-(meso-DMBEDT-TTF2AsF6 as well as in the reported β-(meso-DMBEDT-TTF2PF6. The charge-ordered spin-gapped state and the pressure-induced superconducting state are discussed through the paired-electron crystal (PEC model, where the spin-bonded electron pairs stay and become mobile in the crystal, namely the valence-bond solid (VBS and the resonant valence bonded (RVB state in the quarter-filled band structure.

Calculation of spin and orbital magnetizations in Fe slab systems at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Garibay-Alonso, R [Facultad de Ciencias FIsico Matematicas, Universidad Autonoma de Coahuila, Conjunto Universitario Camporredondo, Edificio ' D' , 25000 Saltillo (Mexico); Reyes-Reyes, M [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis PotosI, Alvaro Obregon 64, San Luis PotosI (Mexico); Urrutia-Banuelos, EfraIn [Departamento de Investigacion en Fisica, Universidad de Sonora, Apartado Postal 5-088, Hermosillo, Sonora 83190 (Mexico); Lopez-Sandoval, R [Instituto Potosino de Investigacion CientIfica y Tecnologica, Camino a la presa San Jose 2055, CP 78216, San Luis PotosI (Mexico)

2010-02-10

The temperature dependence of spin and orbital local magnetizations is theoretically determined for the non-bulk atomic region of (001) and (110) Fe slab systems. A d band Hamiltonian, including spin-orbit coupling terms, was used to model the slabs, which were emulated by using Fe films of sufficient thickness to reach a bulk behavior at their most inner atomic layers. The temperature effects were considered within the static approximation and a simple mean field theory was used to integrate the local magnetic moment and charge thermal fluctuations. The results reflect a clear interplay between electronic itinerancy and the local atomic environment and they can be physically interpreted from the local small charge transfers occurring in the superficial region of the slabs. For recovering the experimental behavior on the results for the (001) slab system, the geometrical relaxations at its non-bulk atomic layers and a d band filling variation are required. A study on the magnetic anisotropy aspects in the superficial region of the slabs is additionally performed by analyzing the results for the orbital local magnetization calculated along two different magnetization directions in both slab systems.

Energetics of charged order transition in Bi.sub.1-x./sub.Sr.sub.x./sub.MnO.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Sedmidubský, D.; Strejc, A.; Beneš, O.; Růžička, K.; Hejtmánek, Jiří; Javorský, P.; Nevřiva, M.; Martin, C.

2006-01-01

Roč. 179, - (2006), s. 3764-3770 ISSN 0022-4596 R&D Projects: GA ČR(CZ) GA203/03/0924 EU Projects: European Commission(XE) HPRN-CT-2002-00293 - SCOOTMO Institutional research plan: CEZ:AV0Z10100521 Keywords : manganites * charge order * heat capacity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.107, year: 2006

Specification of electron radiation environment at GEO and MEO for surface charging estimates

Science.gov (United States)

Ganushkina, N.; Dubyagin, S.; Mateo Velez, J. C.; Liemohn, M. W.

2017-12-01

A series of anomalies at GEO have been attributed to electrons of energy below 100 keV, responsible for surface charging. The process at play is charge deposition on covering insulating surfaces and is directly linked to the space environment at a time scale of a few tens of seconds. Even though modern satellites benefited from the analysis of past flight anomalies and losses, it appears that surface charging remains a source of problems. Accurate specification of the space environment at different orbits is of a key importance. We present the operational model for low energy (model (IMPTAM). This model has been operating online since March 2013 (http://fp7-spacecast.eu and imptam.fmi.fi) and it is driven by the real time solar wind and IMF parameters and by the real time Dst index. The presented model provides the low energy electron flux at all L-shells and at all satellite orbits, when necessary. IMPTAM is used to simulate the fluxes of low energy electrons inside the Earth's magnetosphere at the time of severe events measured on LANL satellites at GEO. There is no easy way to say what will be the flux of keV electrons at MEO when surface charging events are detected at GEO than to use a model. The maximal electron fluxes obtained at MEO (L = 4.6) within a few tens of minutes hours following the LANL events at GEO have been extracted to feed a database of theoretical/numerical worst-case environments for surface charging at MEO. All IMPTAM results are instantaneous, data have not been average. In order to validate the IMPTAM output at MEO, we conduct the statistical analysis of measured electron fluxes onboard Van Allen Probes (ECT HOPE (20 eV-45 keV) and ECT MagEIS (30 - 300 keV) at distances of 4.6 Re. IMPTAM e- flux at MEO is used as input to SPIS, the Spacecraft Plasma Interaction System Software toolkit for spacecraft-plasma interactions and spacecraft charging modelling (http://dev.spis.org/projects/spine/home/spis). The research leading to these results

a Moessbauer Effect and Fenske-Hall Molecular Orbital Study of the Electronic Properties of Organoiron Clusters.

Science.gov (United States)

Buhl, Margaret Linn

The electronic properties of trinuclear iron, tetranuclear iron butterfly, iron-cobalt, and iron-copper clusters have been studied experimentally at 78K by the Mossbauer effect and theoretically by Fenske-Hall molecular orbital calculations. The Mossbauer effect isomer shift is very sensitive to the differences in the iron s-electron densities in these clusters and, as expected, decreases as the sum of the iron 4s Mulliken population and the Clementi and Raimondi effective nuclear charge increases. The molecular orbital wave functions and the Mulliken atomic charges are used to calculate the electric field gradient at the metal nuclei and the iron Mossbauer effect quadrupole splittings. The valence contribution was found to be the major component of the electric field gradient in all the clusters studied. In general the calculated value of Delta E_ {Q} is larger than the observed value, as a result of neglect of the valence Sternheimer factor, R. The metal charge depends upon its electronegativity and upon the nature of its Lewis base ligands. The carbonyl ligand carbon charge becomes more positive as the metal electronegativity increases. The oxygen charge becomes more negative as the anionic cluster charge increases, and in so doing, yields the maximum anionic charge separation. The electronic properties of the terminal carbonyl ligands are similar to those of carbon monoxide, whereas the electronic properties of the bridging carbonyl ligands are similar to those of the carbonyl group found in aldehydes and ketones.

AARHUS: Exotic charge states in ASTRID

International Nuclear Information System (INIS)

Moller, Soren Pape

1995-01-01

Ions are atoms from which one or more orbital electrons have been detached. This removal can be done, for example, by impact of other electrons. Today beams of bare ions - nuclei without any electrons - are available, for example at the GSI heavy ion Laboratory, Darmstadt, even for the heaviest elements. Molecules too can be ionized by removal of one electron and these molecules can be accelerated to form high energy beams. Molecules are, however, generally not expected to be stable when more than one electron is missing, since there is too little negative charge to bind the positive nuclei. It was therefore a surprise when a stable doubly-charged molecular ion was found at experiments at the ASTRID storage ring, Aarhus, Denmark. The aim of the experiment was to measure lifetimes of expected metastable states of doubly-charged carbon monoxide, CO ++ . The CO ++ ions were produced in an ion source and the accelerated beam injected into the storage ring. The circulating intensity was then monitored by detecting neutral species produced in restgas collisions at the end of a straight section. For CO ++ , a fraction of the beam survived for tens of seconds, with a lifetime around 4 seconds. This lifetime was dominated by restgas collisions. The base pressure was around 2 x 10 -11 mbar. In order to avoid contamination from molecules with the same mass/charge ratio, e.g. singly-charged nitrogen-14, the carbon monoxide used was based on the naturally rare isotope carbon-13 rather than the abundant carbon-12. Many atoms can also bind an additional electron and form negative ions. Several negative ions are metastable, and lifetime measurements performed at ASTRID and elsewhere produce accurate results important for comparisons with theory. Double-charged negative ions could in principle exist, and indications of metastable states of H - and O - were seen some years ago as resonances in the electron bombardment of negative hydrogen ions. This process was recently studied at

AARHUS: Exotic charge states in ASTRID

Energy Technology Data Exchange (ETDEWEB)

Moller, Soren Pape

1995-04-15

Ions are atoms from which one or more orbital electrons have been detached. This removal can be done, for example, by impact of other electrons. Today beams of bare ions - nuclei without any electrons - are available, for example at the GSI heavy ion Laboratory, Darmstadt, even for the heaviest elements. Molecules too can be ionized by removal of one electron and these molecules can be accelerated to form high energy beams. Molecules are, however, generally not expected to be stable when more than one electron is missing, since there is too little negative charge to bind the positive nuclei. It was therefore a surprise when a stable doubly-charged molecular ion was found at experiments at the ASTRID storage ring, Aarhus, Denmark. The aim of the experiment was to measure lifetimes of expected metastable states of doubly-charged carbon monoxide, CO{sup ++}. The CO{sup ++} ions were produced in an ion source and the accelerated beam injected into the storage ring. The circulating intensity was then monitored by detecting neutral species produced in restgas collisions at the end of a straight section. For CO{sup ++}, a fraction of the beam survived for tens of seconds, with a lifetime around 4 seconds. This lifetime was dominated by restgas collisions. The base pressure was around 2 x 10{sup -11} mbar. In order to avoid contamination from molecules with the same mass/charge ratio, e.g. singly-charged nitrogen-14, the carbon monoxide used was based on the naturally rare isotope carbon-13 rather than the abundant carbon-12. Many atoms can also bind an additional electron and form negative ions. Several negative ions are metastable, and lifetime measurements performed at ASTRID and elsewhere produce accurate results important for comparisons with theory. Double-charged negative ions could in principle exist, and indications of metastable states of H{sup -} and O{sup -} were seen some years ago as resonances in the electron bombardment of negative hydrogen ions. This

ESOC activities during the MIR de-orbit

Science.gov (United States)

Klinkrad, H.; Flury, W.; Hernández, C.; Landgraf, M.; Jehn, R.; Christ, U.; Sintoni, F.

2002-11-01

On March 23, 2001, MIR was de-orbited in a controlled fashion, following a successful mission of 15 years. The de-orbiting operations were conducted by the TsUP Mission Control Center, who also consulted entities outside Russia, in order to consolidate their knowledge on the MIR orbit and attitude prior to the initiation of the de-orbit sequence. The European Space Agency ESA through their operations centre ESOC was tasked to support the pre-entry analysis of TsUP by own results, and by routing of Russian and European data via a dedicated communications network. Analysis results produced by ESOC, and details on the data exchange will be highlighted in this paper. The MIR de-orbit and its assessed risk potential will also be compared with the re-entries of Skylab and Salyut-7/Kosmos-1686.

Charge retention test experiences on Hubble Space Telescope nickel-hydrogen battery cells

Science.gov (United States)

Nawrocki, Dave E.; Driscoll, J. R.; Armantrout, J. D.; Baker, R. C.; Wajsgras, H.

1993-01-01

The Hubble Space Telescope (HST) nickel-hydrogen battery module was designed by Lockheed Missile & Space Co (LMSC) and manufactured by Eagle-Picher Ind. (EPI) for the Marshall Space Flight Center (MSFC) as an Orbital Replacement Unit (ORU) for the nickel-cadmium batteries originally selected for this low earth orbit mission. The design features of the HST nickel hydrogen battery are described and the results of an extended charge retention test are summarized.

Charge ordering and exchange bias behaviors in Co{sub 3}O{sub 4} porous nanoplatelets and nanorings

Energy Technology Data Exchange (ETDEWEB)

Debnath, J.C., E-mail: jcd341@uowmail.edu.au [Institute for Frontier Materials, Deakin University, Geelong, VIC 3216 (Australia); Wang, Jianli [Institute for Superconductivity and Electronic Materials, University of Wollongong, Wollongong, NSW 2522 (Australia); Zeng, R. [Institute for Superconductivity and Electronic Materials, University of Wollongong, Wollongong, NSW 2522 (Australia); School of Materials Science and Engineering, Faculty of Science, UNSW, Sydney NSW 2052 (Australia)

2017-01-01

We present the synthesis of α-Co{sub 3}O{sub 4} porous nanoplatelets and hexagonal nanorings using microwave-assisted hydrothermal and conventional chemical reaction methods. The x-ray diffraction (XRD) and refinement analyses indicate the α-Co{sub 3}O{sub 4} crystal structure, and the x-ray photoelectron spectrum (XPS) indicates the high purity of the samples. The M–T (including 1/χ–T) curves indicate an antiferromagnetic transition at about 35 K in both kind of samples but the interesting finding was made that a charge-ordered (CO) state appears at 250 K for the nanoplatelets sample whereas it is inattentive for the nanorings. The antiferromagnetic transition temperature T{sub N} is lower than that of the bulk α-Co{sub 3}O{sub 4} single crystal due to the nanosized structures. We observed quite significant exchange bias for nanorings. The exchange bias behavior of the α-Co{sub 3}O{sub 4} hexagonal nanorings is consistent with an antiferromagnetic (AFM) Co{sub 3}O{sub 4} core and spin-glass like shell. - Highlights: ●Charge-ordered state appears for the Co{sub 3}O{sub 4} nanoplatelets but absent for the nanorings. ●Quite significant exchange bias is only observed for Co{sub 3}O{sub 4} nanorings. ●Exchange bias behavior of Co{sub 3}O{sub 4} nanorings is consistent with spin-glass like shell. ●Potential for ultrahigh-density magnetic recording and spin valve devices.

Charge exchange of hydrogen atoms with multiply charged ions in a hot plasma