WorldWideScience

Sample records for strong electronic correlation

  1. PREFACE: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Saxena, Siddharth S.; Littlewood, P. B.

    2012-07-01

    This special section is dedicated to the Strongly Correlated Electron Systems Conference (SCES) 2011, which was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 is dedicated to 100 years of superconductivity and covers a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The selected papers derived from invited presentations seek to deepen our understanding of the rich physical phenomena that arise from correlation effects. The focus is on quantum phase transitions, non-Fermi liquid phenomena, quantum magnetism, unconventional superconductivity and metal-insulator transitions. Both experimental and theoretical work is presented. Based on fundamental advances in the understanding of electronic materials, much of 20th century materials physics was driven by miniaturisation and integration in the electronics industry to the current generation of nanometre scale devices. The achievements of this industry have brought unprecedented advances to society and well-being, and no doubt there is much further to go—note that this progress is founded on investments and studies in the fundamentals of condensed matter physics from more than 50 years ago. Nevertheless, the defining challenges for the 21st century will lie in the discovery in science, and deployment through engineering, of technologies that can deliver the scale needed to have an impact on the sustainability agenda. Thus the big developments in nanotechnology may lie not in the pursuit of yet smaller transistors, but in the design of new structures that can revolutionise the performance of solar cells, batteries, fuel cells, light-weight structural materials, refrigeration, water purification, etc. The science presented in the papers of this special section also highlights the underlying interest in energy-dense materials, which

  2. EDITORIAL: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Ronning, Filip; Batista, Cristian

    2011-03-01

    Strongly correlated electrons is an exciting and diverse field in condensed matter physics. This special issue aims to capture some of that excitement and recent developments in the field. Given that this issue was inspired by the 2010 International Conference on Strongly Correlated Electron Systems (SCES 2010), we briefly give some history in order to place this issue in context. The 2010 International Conference on Strongly Correlated Electron Systems was held in Santa Fe, New Mexico, a reunion of sorts from the 1989 International Conference on the Physics of Highly Correlated Electron Systems that also convened in Santa Fe. SCES 2010—co-chaired by John Sarrao and Joe Thompson—followed the tradition of earlier conferences, in this century, hosted by Buzios (2008), Houston (2007), Vienna (2005), Karlsruhe (2004), Krakow (2002) and Ann Arbor (2001). Every three years since 1997, SCES has joined the International Conference on Magnetism (ICM), held in Recife (2000), Rome (2003), Kyoto (2006) and Karlsruhe (2009). Like its predecessors, SCES 2010 topics included strongly correlated f- and d-electron systems, heavy-fermion behaviors, quantum-phase transitions, non-Fermi liquid phenomena, unconventional superconductivity, and emergent states that arise from electronic correlations. Recent developments from studies of quantum magnetism and cold atoms complemented the traditional subjects and were included in SCES 2010. 2010 celebrated the 400th anniversary of Santa Fe as well as the birth of astronomy. So what's the connection to SCES? The Dutch invention of the first practical telescope and its use by Galileo in 1610 and subsequent years overturned dogma that the sun revolved about the earth. This revolutionary, and at the time heretical, conclusion required innovative combinations of new instrumentation, observation and mathematics. These same combinations are just as important 400 years later and are the foundation of scientific discoveries that were discussed

  3. Electronic Structure of Strongly Correlated Materials

    CERN Document Server

    Anisimov, Vladimir

    2010-01-01

    Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.

  4. NMR study of strongly correlated electron systems

    Science.gov (United States)

    Kitaoka, Y.; Tou, H.; Zheng, G.-q.; Ishida, K.; Asayama, K.; Kobayashi, T. C.; Kohda, A.; Takeshita, N.; Amaya, K.; Onuki, Y.; Geibel, G.; Schank, C.; Steglich, F.

    1995-02-01

    Various types of ground states in strongly correlated electron systems have been systematically investigated by means of NMR/NQR at low temperatures under high magnetic field and pressure. We focus on two well-known heavy-electron families, CeCu 2X 2 (X = Si and Ge) (Ce(122)) and UM 2Al 3 (M = Ni and Pd) (U(123)). The Cu NQR experiments on CeCu 2X 2 under high pressure indicate that the physical property of CeCu 2Ge 2 at high pressure, i.e. above the transition at 7.6 GPa from antiferromagnetic (AF) to superconductivity, are clearly related to tha CeCu 2Si 2 at ambient pressure. In addition to the H-T phase diagram established below 7 T, NMR and specific heat experiments on polycrystal CeCu 2.05Si 2 have revealed the presence of a new phase above 7 T. In a high-quality polycrystal of UPd 2Al 3 with a record high- Tc of 2 K at ambient pressure and the narrowest Al NQR line width, the nuclear-spin lattice relaxation rate, 27(1/ T1) measured in zero field has been found to obey the T3 law down to 0.13 K, giving strong evidence that the energy gap vanishes along lines on the Fermi surface. Thus it seems that all heavy-electron superconductors exhibit lines of zero gap, regardless of their different magnetic properties.

  5. Superconductivity, Antiferromagnetism, and Kinetic Correlation in Strongly Correlated Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Yanagisawa

    2015-01-01

    Full Text Available We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U. We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.

  6. Magnetic properties of metallic impurities with strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Ringel, Matouš

    2009-01-01

    Roč. 115, č. 1 (2009), s. 30-35 ISSN 0587-4246 R&D Projects: GA ČR GA202/07/0644 Institutional research plan: CEZ:AV0Z10100520 Keywords : And erson impurity * strong electron correlations * spin-polarized solution * three-channel parquet equations * magnetic field Subject RIV: BE - Theoretical Physics Impact factor: 0.433, year: 2009 http://przyrbwn.icm.edu.pl/APP/ABSTR/115/a115-1-5.html

  7. Multiorbital simplified parquet equations for strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Augustinský, Pavel; Janiš, Václav

    2011-01-01

    Roč. 83, č. 3 (2011), "035114-1"-"035114-13" ISSN 1098-0121 R&D Projects: GA ČR(CZ) GC202/07/J047 Institutional research plan: CEZ:AV0Z10100520 Keywords : multi-orbital model * strongly correlated electrons * parquet equations * Kondo regime Subject RIV: BE - Theoretical Physics Impact factor: 3.691, year: 2011 http://prb.aps.org/abstract/PRB/v83/i3/e035114

  8. PREFACE: Introduction to Strongly Correlated Electrons in New Materials

    Science.gov (United States)

    Kusmartsev, Feo V.

    2003-09-01

    The discovery of new natural and artificial materials has revolutionized condensed matter physics and our views on the role of correlations between electrons. Novel properties such as high-temperature superconductivity and colossal magnetoresistance discovered in these materials have overturned our conventional representations of condensed matter physics and pushed us to reconsider many well-established concepts. For example, we must treat the Coulomb interaction between electrons far beyond perturbation theory; we must recall long-forgotten ideas of electronic phase separation introduced originally by Nagaev in the 1960s; we must reconsider the role of electron--phonon and electron--magnon interactions, orbital degrees of freedom, the Rashba effect and many other aspects of condensed matter physics that are becoming increasingly important. In many novel materials, such as the two-dimensional electron gas, the energy associated with the Coulomb interaction is typically of the order of (or even larger than) the kinetic energy of electrons or the Fermi energy. Therefore perturbation theory and associated renormalization group methods are not applicable to these situations and we may expect to find a novel state of matter associated with correlation effects. It is worth mentioning the known examples of these states proposed recently, such as marginal Fermi liquids, novel metal--insulator phase transitions in the two-dimensional electron gas associated with new metallic and insulating states, structured liquids, microscopic electronic phase separations, stripes, strings, polarons and others. The discussion of these states is now on the frontier of modern condensed matter physics and is partially covered in this special issue. The demand to treat the Coulomb interaction properly has stimulated a development of many-body theory, which considers correlations as fully as possible. Strong correlations may play an important role in the dynamics of the electronic system. In a

  9. Superconductivity in strongly correlated electron systems: successes and open questions

    International Nuclear Information System (INIS)

    Shastry, B. Sriram

    2000-01-01

    Correlated electronic systems and superconductivity is a field which has unique track record of producing exciting new phases of matter. The article gives an overview of trends in solving the problems of superconductivity and correlated electronic systems

  10. Correlated electron-ion collisions in a strong laser field

    International Nuclear Information System (INIS)

    Ristow, T.

    2007-01-01

    Electron-ion-collisions in plasmas in the presence of an ultra-short intensive laser pulse can cause high energy transfers to the electrons. During the collision the oscillation energy of the electron in the laser field is changed into drift energy. In this regime, multi-photon processes, known from the ionization of neutral atoms (Above-Threshold Ionization), and successive, so called correlated collisions, are important. The subject of the thesis is a study of binary Coulomb collisions in strong laser fields. The collisions are treated both in the context of classical Newtonian mechanics and in the quantum-mechanical framework by the Schroedinger equation. In the classical case a simplified instantaneous collision model and a complete dynamical treatment are discussed. Collisions can be treated instantaneously, if the ratio of the impact parameter to the quiver amplitude is small. The energy distributions calculated in this approximation show an elastic peak and a broad plateau due to rescattered electrons. At incident velocities smaller than the quiver velocity, correlated collisions are observed in the electron trajectories of the dynamical model. This effect leads to characteristic momentum distributions of the electrons, that are explicitly calculated and compared with the results of the instantaneous model. In addition, the time-dependence of the collisions is discussed in the framework of a singular perturbation theory. The complete description of the Coulomb scattering requires a quantum-mechanical description. A time-dependent method of wave-packet scattering is used and the corresponding time-dependent three-dimensional Schroedinger equation is solved by an implicit ADImethod on a spatial grid. The momentum and the energy distributions of the scattered electrons are calculated by the Fourier transformation of the wavefunction. A comparison of the scattering from a repulsive and an attractive potential is used to distinguish between simple collisions and

  11. Bound states in strongly correlated magnetic and electronic systems

    International Nuclear Information System (INIS)

    Trebst, S.

    2002-02-01

    A novel strong coupling expansion method to calculate two-particle spectra of quantum lattice models is developed. The technique can be used to study bosonic and fermionic models and in principle it can be applied to systems in any dimension. A number of strongly correlated magnetic and electronic systems are examined including the two-leg spin-half Heisenberg ladder, the dimerized Heisenberg chain with a frustrating next-nearest neighbor interaction, coupled Heisenberg ladders, and the one-dimensional Kondo lattice model. In the various models distinct bound states are found below the two-particle continuum. Quantitative calculations of the dispersion, coherence length and binding energy of these bound states are used to describe spectroscopic experiments on (Ca,La) 14 Cu 24 O 41 and NaV 2 O 5 . (orig.)

  12. Muon spin relaxation studies in strongly correlated electron systems

    Science.gov (United States)

    Uemura, Y. J.; Luke, G. M.

    1993-05-01

    We describe recent progress of muon spin relaxation (μSR) studies in heavy-fermion (HF) and other strongly correlated electron systems. Measurements of the magnetic field penetration depth λ in HF superconductors UPt 3, URu 2Si 2, UPd 2Al 3 and U 2PtC 2 have revealed that these systems are characterized by large ratios Tc/ TF = 0.1-0.01 of Tc vs Fermi temperature TF derived from λ. This feature is common to high- Tc cuprate and other exotic superconductors. Zero-field μSR studies of magnetic order have elucidated a cross-over from spin glass ordering to nonmagnetic ground states in the ‘quadrupolar Kondo regime’ of (Y 1- xU x)Pd 3, and also suggested a possibility of incommensurate spin-density-wave (SDW) ordering in UNi 2Al 3.

  13. Strongly correlated electron physics in nanotube-encapsulated metallocene chains

    Science.gov (United States)

    García-Suárez, V. M.; Ferrer, J.; Lambert, C. J.

    2006-11-01

    The structural, electronic, and transport properties of metallocene molecules (MCp2) and isolated or nanotube-encapsulated metallocene chains are studied by using a combination of density functional theory and nonequilibrium Green’s functions. The analysis first discusses the whole series of isolated (MCp2) molecules, where M=V , Cr, Mn, Fe, Co, Ni, Ru, and Os. The series presents a rich range of electronic and magnetic behaviors due to the interplay between the crystal field interaction and Hund’s rules, as the occupation of the d shell increases. The article then shows how many of these interesting properties can also be seen when (MCp2) molecules are linked together to form periodic chains. Interestingly, a large portion of these chains display metallic, and eventually magnetic, behavior. These properties may render these systems as useful tools for spintronics applications but this is hindered by the lack of mechanical stability of the chains. It is finally argued that encapsulation of the chains inside carbon nanotubes, that is exothermic for radii larger than 4.5Å , provides the missing mechanical stability and electrical isolation. The structural stability, charge transfer, magnetic, and electronic behavior of the ensuing chains, as well as the modification of the electrostatic potential in the nanotube wall produced by the metallocenes are thoroughly discussed. We argue that the full devices can be characterized by two doped, strongly correlated Hubbard models whose mutual hybridization is almost negligible. The charge transferred from the chains produces a strong modification of the electrostatic potential in the nanotube walls, which is amplified in case of semiconducting and endothermic nanotubes. The transport properties of isolated metallocenes between semi-infinite nanotubes are also analyzed and shown to lead to important changes in the transmission coefficients of clean nanotubes for high energies.

  14. PREFACE: International Conference on Strongly Correlated Electron Systems (SCES 2011)

    Science.gov (United States)

    Littlewood, P. B.; Lonzarich, G. G.; Saxena, S. S.; Sutherland, M. L.; Sebastian, S. E.; Artacho, E.; Grosche, F. M.; Hadzibabic, Z.

    2012-11-01

    The Strongly Correlated Electron Systems Conference (SCES) 2011, was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 was dedicated to 100 years of superconductivity and covered a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The meeting welcomed to Cambridge 657 participants from 23 countries, who presented 127 talks (including 16 plenary, 57 invited, and 54 contributed) and 736 posters in 40 sessions over five full days of meetings. This proceedings volume contains papers reporting on the science presented at the meeting. This work deepens our understanding of the rich physical phenomena that arise from correlation effects. Strongly correlated systems are known for their remarkable array of emergent phenomena: the traditional subjects of superconductivity, magnetism and metal-insulator transitions have been joined by non-Fermi liquid phenomena, topologically protected quantum states, atomic and photonic gases, and quantum phase transitions. These are some of the most challenging and interesting phenomena in science. As well as the science driver, there is underlying interest in energy-dense materials, which make use of 'small' electrons packed to the highest possible density. These are by definition 'strongly correlated'. For example: good photovoltaics must be efficient optical absorbers, which means that photons will generate tightly bound electron-hole pairs (excitons) that must then be ionised at a heterointerface and transported to contacts; efficient solid state refrigeration depends on substantial entropy changes in a unit cell, with large local electrical or magnetic moments; efficient lighting is in a real sense the inverse of photovoltaics; the limit of an efficient battery is a supercapacitor employing mixed valent ions; fuel cells and solar to fuel conversion

  15. Excitonic condensation in systems of strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan

    2015-01-01

    Roč. 27, č. 33 (2015), s. 333201 ISSN 0953-8984 Institutional support: RVO:68378271 Keywords : electronic correlations * exciton * Bose-Einstein condensation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.209, year: 2015

  16. The Electron-Phonon Interaction in Strongly Correlated Systems

    International Nuclear Information System (INIS)

    Castellani, C.; Grilli, M.

    1995-01-01

    We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

  17. Strongly correlated electron materials. I. Theory of the quasiparticle structure

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Aguilar, F.; Costa-Quintana, J.; Puig-Puig, L. (Departamento de Fisica, Grupo de Electromagnetismo, Universidad Autonoma de Barcelona, Bellaterra, E-08193 Barcelona (Spain))

    1993-07-01

    In this paper we give a method for analyzing the renormalized electronic structure of the Hubbard systems. The first step is the determination of effective interactions from the random-phase approximation (RPA) and from an extended RPA (ERPA) that introduces vertex effects within the bubble polarization. The second step is the determination of the density of states deduced from the spectral functions. Its analysis leads us to conclude that these systems can exhibit three types of resonances in their electronic structures: the lower-, middle-, and upper-energy resonances. Furthermore, we analyze the conditions for which there is only one type of resonance and the causes that lead to the disappearance of the heavy-fermion state. We finally introduce the RPA and ERPA effective interactions within the strong-coupling theory and we give the conditions for obtaining coupling and superconductivity.

  18. Quantum phase transitions of strongly correlated electron systems

    International Nuclear Information System (INIS)

    Imada, Masatoshi

    1998-01-01

    Interacting electrons in solids undergo various quantum phase transitions driven by quantum fluctuations. The quantum transitions take place at zero temperature by changing a parameter to control quantum fluctuations rather than thermal fluctuations. In contrast to classical phase transitions driven by thermal fluctuations, the quantum transitions have many different features where quantum dynamics introduces a source of intrinsic fluctuations tightly connected with spatial correlations and they have been a subject of recent intensive studies as we see below. Interacting electron systems cannot be fully understood without deep analyses of the quantum phase transitions themselves, because they are widely seen and play essential roles in many phenomena. Typical and important examples of the quantum phase transitions include metal-insulator transitions, (2, 3, 4, 5, 6, 7, 8, 9) metal-superconductor transitions, superconductor-insulator transitions, magnetic transitions to antiferromagnetic or ferromagnetic phases in metals as well as in Mott insulators, and charge ordering transitions. Here, we focus on three different types of transitions

  19. STIR: Novel Electronic States by Gating Strongly Correlated Materials

    Science.gov (United States)

    2016-03-01

    TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 15...REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR/MONITOR’S ACRONYM(S) ARO 8. PERFORMING ORGANIZATION REPORT NUMBER...channel limits induced electron density changes to approximately 1013 cm-2. This is sufficient to gate semiconducting materials, where the electronic

  20. Electronic properties of strongly correlated fermions in nanostructures

    International Nuclear Information System (INIS)

    Lopez-Sandoval, R; Pastor, G M

    2004-01-01

    Lattice density-functional theory is applied to small clusters described by the Hubbard model in order to study the effect of the correlation on these nano-objects. Results for the ground-state energy and charge excitation gap of small clusters are presented and discussed as a function of the number of sites N a , Coulomb repulsion U/t, and band filling n

  1. Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations

    OpenAIRE

    Aryanpour, K.; Roberts, A.; Sandhu, A.; Rathore, R.; Shukla, A.; Mazumdar, S.

    2013-01-01

    Strong electron correlation effects in the photophysics of quasi-one-dimensional $\\pi$-conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been extensively studied. Far less is known on correlation effects in two-dimensional $\\pi$-conjugated systems. Here we present theoretical and experimental evidence for moderate repulsive electron-electron interactions in a number of finite polycyclic aromatic hydrocarbon molecules with $D_{6h}$ symmetry. We show that...

  2. Strongly Correlated Electron Systems in The Half Filled Band of The ...

    African Journals Online (AJOL)

    Strong correlation of interacting electrons has been widely studied under the single band Hubbard model with the aid of several techniques. These numerous studies have been carried out at different band filling. In this work, the ground state properties in the half filled band in one dimension are studied employing a ...

  3. Extended Aharonov-Bohm period analysis of strongly correlated electron systems

    OpenAIRE

    Arita, Ryotaro; Kusakabe, Koichi; Kuroki, Kazuhiko; Aoki, Hideo

    1996-01-01

    The `extended Aharonov-Bohm (AB) period' recently proposed by Kusakabe and Aoki [J. Phys. Soc. Jpn (65), 2772 (1996)] is extensively studied numerically for finite size systems of strongly correlated electrons. While the extended AB period is the system length times the flux quantum for noninteracting systems, we have found the existence of the boundary across which the period is halved or another boundary into an even shorter period on the phase diagram for these models. If we compare this r...

  4. Magnetic and resonant X-ray scattering investigations of strongly correlated electron systems

    International Nuclear Information System (INIS)

    Paolasini, L.; Bergevin, F. de

    2008-01-01

    Resonant X-ray scattering is a method which combines high-Q resolution X-ray elastic diffraction and atomic core-hole spectroscopy for investigating electronic and magnetic long-range ordered structures in condensed matter. During recent years the development of theoretical models to describe resonant X-ray scattering amplitudes and the evolution of experimental techniques, which include the control and analysis of linear photon polarization and the introduction of extreme environment conditions such as low temperatures, high magnetic field and high pressures, have opened a new field of investigation in the domain of strongly correlated electron systems. (authors)

  5. Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence.

    Science.gov (United States)

    Greenman, Loren; Mazziotti, David A

    2010-10-28

    Dioxetanone, a key component of the bioluminescence of firefly luciferin, is itself a chemiluminescent molecule due to two conical intersections on its decomposition reaction surface. While recent calculations of firefly luciferin have employed four electrons in four active orbitals [(4,4)] for the dioxetanone moiety, a study of dioxetanone [F. Liu et al., J. Am. Chem. Soc. 131, 6181 (2009)] indicates that a much larger active space is required. Using a variational calculation of the two-electron reduced-density-matrix (2-RDM) [D. A. Mazziotti, Acc. Chem. Res. 39, 207 (2006)], we present the ground-state potential energy surface as a function of active spaces from (4,4) to (20,17) to determine the number of molecular orbitals required for a correct treatment of the strong electron correlation near the conical intersections. Because the 2-RDM method replaces exponentially scaling diagonalizations with polynomially scaling semidefinite optimizations, we readily computed large (18,15) and (20,17) active spaces that are inaccessible to traditional wave function methods. Convergence of the electron correlation with active-space size was measured with complementary RDM-based metrics, the von Neumann entropy of the one-electron RDM as well as the Frobenius and infinity norms of the cumulant 2-RDM. Results show that the electron correlation is not correctly described until the (14,12) active space with small variations present through the (20,17) space. Specifically, for active spaces smaller than (14,12), we demonstrate that at the first conical intersection, the electron in the σ(∗) orbital of the oxygen-oxygen bond is substantially undercorrelated with the electron of the σ orbital and overcorrelated with the electron of the carbonyl oxygen's p orbital. Based on these results, we estimate that in contrast to previous treatments, an accurate calculation of the strong electron correlation in firefly luciferin requires an active space of 28 electrons in 25 orbitals

  6. Long Range Order and Spin-Fluctuations in Strongly Correlated Electron System with Valence Instability

    Science.gov (United States)

    Alekseev, P. A.; Menushenkov, A. P.; Mignot, J.-M.; Nemkovski, K. S.; Yaroslavtsev, A. A.; Kozlenko, D. P.

    Rare-earth based strongly correlated electron systems (SCES) exhibit a large variety of different ground states, ranging from the simple paramagnetism of crystal-field-split f-electron multiplets to highly unconventional Kondo-insulator states with a combination of charge gap, spin gap and valence instability, in which long-range magnetic order can eventually arise from an initially singlet state. The physical background for these properties of the electron subsystem may be clarified by performing detailed neutron scattering experiments, namely magnetic neutron scattering spectroscopy and diffraction. This report reviews the results of the previous and new experimental studies on a number of rare-earth intermetallic compounds, which shed light on peculiar features of those unusual ground states.

  7. Electronic structure calculations of atomic transport properties in uranium dioxide: influence of strong correlations

    International Nuclear Information System (INIS)

    Dorado, B.

    2010-09-01

    Uranium dioxide UO 2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO 2 , we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO 2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)

  8. Concepts relating magnetic interactions, intertwined electronic orders, and strongly correlated superconductivity

    Science.gov (United States)

    Davis, J. C. Séamus; Lee, Dung-Hai

    2013-01-01

    Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron–electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron–electron interactions that are the proximate cause of such SC are more typically drivers of commensurate magnetism. Indeed, it is the suppression of commensurate antiferromagnetism (AF) that usually allows this type of unconventional superconductivity to emerge. Importantly, however, intervening between these AF and SC phases, intertwined electronic ordered phases (IP) of an unexpected nature are frequently discovered. For this reason, it has been extremely difficult to distinguish the microscopic essence of the correlated superconductivity from the often spectacular phenomenology of the IPs. Here we introduce a model conceptual framework within which to understand the relationship between AF electron–electron interactions, IPs, and correlated SC. We demonstrate its effectiveness in simultaneously explaining the consequences of AF interactions for the copper-based, iron-based, and heavy-fermion superconductors, as well as for their quite distinct IPs. PMID:24114268

  9. Holstein-Primakoff representation and supercoherent states for strongly correlated electron systems

    International Nuclear Information System (INIS)

    Azakov, S.

    1999-09-01

    First we show that the algebra of operators entering the Hamiltonian of the t-J model describing the strongly correlated electron system is graded spl(2.1) algebra. Then after a brief discussion of its atypical representations we construct the Holstein-Primakoff nonlinear realization of these operators which allows to carry out the systematic semiclassical approximation, similarly to the spin-wave theory of localized magnetism. The fact that the t-J model describes the itinerant magnetism is reflected in the presence of the spinless fermions. For the supersymmetric spl(2.1) algebra the supercoherent states are proposed and the partition function of the t-J model is represented as a path integral with the help of these states. (author)

  10. On strongly correlated N-electron systems | Enaibe | Journal of the ...

    African Journals Online (AJOL)

    An attempt is made in this work to extend the correlated variational approach of Chen and Mei [1], which was developed for two-electron systems, to N-electron systems (N>2). Preliminary results are reported here for four electrons interacting under a Hubbard-type potential in a one-dimensional lattice with only four sites

  11. Quantum Monte Carlo methods and strongly correlated electrons on honeycomb structures

    Energy Technology Data Exchange (ETDEWEB)

    Lang, Thomas C.

    2010-12-16

    In this thesis we apply recently developed, as well as sophisticated quantum Monte Carlo methods to numerically investigate models of strongly correlated electron systems on honeycomb structures. The latter are of particular interest owing to their unique properties when simulating electrons on them, like the relativistic dispersion, strong quantum fluctuations and their resistance against instabilities. This work covers several projects including the advancement of the weak-coupling continuous time quantum Monte Carlo and its application to zero temperature and phonons, quantum phase transitions of valence bond solids in spin-1/2 Heisenberg systems using projector quantum Monte Carlo in the valence bond basis, and the magnetic field induced transition to a canted antiferromagnet of the Hubbard model on the honeycomb lattice. The emphasis lies on two projects investigating the phase diagram of the SU(2) and the SU(N)-symmetric Hubbard model on the hexagonal lattice. At sufficiently low temperatures, condensed-matter systems tend to develop order. An exception are quantum spin-liquids, where fluctuations prevent a transition to an ordered state down to the lowest temperatures. Previously elusive in experimentally relevant microscopic two-dimensional models, we show by means of large-scale quantum Monte Carlo simulations of the SU(2) Hubbard model on the honeycomb lattice, that a quantum spin-liquid emerges between the state described by massless Dirac fermions and an antiferromagnetically ordered Mott insulator. This unexpected quantum-disordered state is found to be a short-range resonating valence bond liquid, akin to the one proposed for high temperature superconductors. Inspired by the rich phase diagrams of SU(N) models we study the SU(N)-symmetric Hubbard Heisenberg quantum antiferromagnet on the honeycomb lattice to investigate the reliability of 1/N corrections to large-N results by means of numerically exact QMC simulations. We study the melting of phases

  12. Local Magnetism in Strongly Correlated Electron Systems with Orbital Degrees of Freedom

    Science.gov (United States)

    Ducatman, Samuel Charles

    The central aim of my research is to explain the connection between the macroscopic behavior and the microscopic physics of strongly correlated electron systems with orbital degrees of freedom through the use of effective models. My dissertation focuses on the sub-class of these materials where electrons appear to be localized by interactions, and magnetic ions have well measured magnetic moments. This suggests that we can capture the low-energy physics of the material by employing a minimal model featuring localized spins which interact with each other through exchange couplings. I describe Fe1+y Te and beta-Li2IrO3 with effective models primarily focusing on the spins of the magnetic ions, in this case Fe and Ir, respectively. The goal with both materials is to gain insight and make predictions for experimentalists. In chapter 2, I focus on Fe1+yTe. I describe why we believe the magnetic ground state of this material, with an observed Bragg peak at Q +/- pi/2, pi/2), can be described by a Heisenberg model with 1st, 2nd, and 3rd neighbor interactions. I present two possible ground states of this model in the small J1 limit, the bicollinear and plaquette states. In order to predict which ground state the model prefers, I calculate the spin wave spectrum with 1/S corrections, and I find the model naturally selects the "plaquette state." I give a brief description of the ways this result could be tested using experimental techniques such as polarized neutron scattering. In chapter 3, I extend the model used in chapter 2. This is necessary because the Heisenberg model we employed cannot explain why Fe1+yTe undergoes a phase transition as y is increased. We add an additional elements to our calculation; we assume that electrons in some of the Fe 3D orbitals have selectively localized while others remain itinerant. We write a new Hamiltonian, where localized moments acquire a new long-range RKKY-like interaction from interactions with the itinerant electrons. We are

  13. Electronic properties of Pu19Os simulating β-Pu: the strongly correlated Pu phase

    Science.gov (United States)

    Havela, L.; Mašková, S.; Kolorenč, J.; Colineau, E.; Griveau, J.-C.; Eloirdi, R.

    2018-02-01

    We established the basic electronic properties of ζ-Pu19Os, which is a close analogue to β-Pu, and its low-temperature variety, η-Pu19Os. Their magnetic susceptibility is 15% higher than for δ-Pu. A specific heat study of ζ-Pu19Os shows a soft lattice similar to δ-Pu, leading to a low Debye temperature Θ D  =  101 K. The linear electronic coefficient γ related to the quasiparticle density of states at the Fermi level points to a higher value, 55  ±  2 mJ (mol Pu K2)–1, compared to 40 mJ (mol K2)–1 for δ-Pu. The results confirm that β-Pu is probably the most strongly correlated Pu phase, as had been indicated by resistivity measurements. The volume and related Pu–Pu spacing is clearly not the primary tuning parameter for Pu metal, as the β-Pu density stands close to the ground-state α-phase and is much higher than that for δ-Pu. The η-Pu19Os phase has a record γ-value of 74  ±  2 mJ (mol Pu K2)–1. The enhancement is not reproduced by LDA+DMFT calculations in the fcc structure, which suggests that multiple diverse sites can be the key to the understanding of β-Pu.

  14. Electronic properties of Pu19Os simulating β-Pu: the strongly correlated Pu phase.

    Science.gov (United States)

    Havela, Ladislav; Maskova, Silvie; Kolorenc, Jindrich; Colineau, E; Griveau, Jean-Christophe; Eloirdi, Rachel

    2018-01-04

    We established basic electronic properties of ζ-Pu19Os, which is a close analogue to β-Pu, and its low-temperature variety, η-Pu19Os. Their magnetic susceptibility is by 15% higher than for δ-Pu. Specific heat study of ζ-Pu19Os shows a soft lattice similar to δ-Pu, leading to a low Debye temperature ΘD = 101 K. The linear electronic coefficient γ related to the quasiparticle density of states at the Fermi level points to a higher value, 55±2 mJ/mol Pu K2, compared to 40 mJ/mol K2 for δ-Pu. The results confirm that β-Pu is probably the most strongly correlated Pu phase, as had been indicated by resistivity measurements. The volume and related Pu-Pu spacing is clearly not the primary tuning parameter for Pu metal, as the β-Pu density stands close to the ground-state α-phase and is much higher than that for δ-Pu. The η-Pu19Os phase has a record γ-value of 74±2 mJ/mol Pu K2. The enhancement is not reproduced by LDA+DMFT calculations in the fcc structure, which suggests that the multiple diverse sites can be the key to the understanding of β-Pu. © 2018 IOP Publishing Ltd.

  15. Intricacies of modern supercomputing illustrated with recent advances in simulations of strongly correlated electron systems

    Science.gov (United States)

    Schulthess, Thomas C.

    2013-03-01

    The continued thousand-fold improvement in sustained application performance per decade on modern supercomputers keeps opening new opportunities for scientific simulations. But supercomputers have become very complex machines, built with thousands or tens of thousands of complex nodes consisting of multiple CPU cores or, most recently, a combination of CPU and GPU processors. Efficient simulations on such high-end computing systems require tailored algorithms that optimally map numerical methods to particular architectures. These intricacies will be illustrated with simulations of strongly correlated electron systems, where the development of quantum cluster methods, Monte Carlo techniques, as well as their optimal implementation by means of algorithms with improved data locality and high arithmetic density have gone hand in hand with evolving computer architectures. The present work would not have been possible without continued access to computing resources at the National Center for Computational Science of Oak Ridge National Laboratory, which is funded by the Facilities Division of the Office of Advanced Scientific Computing Research, and the Swiss National Supercomputing Center (CSCS) that is funded by ETH Zurich.

  16. Finite-Temperature Variational Monte Carlo Method for Strongly Correlated Electron Systems

    Science.gov (United States)

    Takai, Kensaku; Ido, Kota; Misawa, Takahiro; Yamaji, Youhei; Imada, Masatoshi

    2016-03-01

    A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in the imaginary-time formulation, starting from the infinite-temperature state that is well approximated by a small number of certain random initial states. Lower temperatures are progressively reached by the imaginary-time evolution. The algorithm follows the framework of the quantum transfer matrix and finite-temperature Lanczos methods, but we extend them to treat much larger system sizes without the negative sign problem by optimizing the truncated Hilbert space on the basis of the time-dependent variational principle (TDVP). This optimization algorithm is equivalent to the stochastic reconfiguration (SR) method that has been frequently used for the ground state to optimally truncate the Hilbert space. The obtained finite-temperature states allow an interpretation based on the thermal pure quantum (TPQ) state instead of the conventional canonical-ensemble average. Our method is tested for the one- and two-dimensional Hubbard models and its accuracy and efficiency are demonstrated.

  17. Electronic structure and superconductivity in strongly correlated systems in the pseudogap regime

    Energy Technology Data Exchange (ETDEWEB)

    Puig-Puig, L.; Lopez-Aguilar, F. [Grup d`Electromagnetisme, Departament de Fisica, Edifici Cn, Universitat Autonoma de Barcelona, E-08193 Ballaterra (Barcelona) (Spain)

    1995-12-15

    We propose effective potentials from a screened Coulomb interaction which arises from spin-fluctuation effects within a three-dimensional Hubbard single-band model for systems with strongly correlated electrons within the pseudogap regime. This regime is characterized by the existence in the normal state of at least two structures located at both sides of the Fermi level and split by a gap or pseudogap. This is the most crucial assumption in the analysis performed in this work. We consider the proposed effective interactions between fermions, analyzing the possibility of obtaining superconductivity by means of the formulation of the corresponding Dyson-like equations for the normal and anomalous one-body propagators in the state with bosonic condensation. We also include vertex effects within these effective fermion-fermion interactions and discuss their influence in this formalism in order to consider a Migdal-like theory appropriate to Hubbard systems. In cases where superconductivity is found, the critical temperature is obtained and the influence of the band and potential parameters is analyzed.

  18. The thermodynamic spin magnetization of strongly correlated 2d electrons in a silicon inversion layer

    OpenAIRE

    Prus, O.; Yaish, Y.; Reznikov, M.; Sivan, U.; Pudalov, V.

    2002-01-01

    A novel method invented to measure the minute thermodynamic spin magnetization of dilute two dimensional fermions is applied to electrons in a silicon inversion layer. Interplay between the ferromagnetic interaction and disorder enhances the low temperature susceptibility up to 7.5 folds compared with the Pauli susceptibility of non-interacting electrons. The magnetization peaks in the vicinity of the density where transition to strong localization takes place. At the same density, the suscep...

  19. Perturbation theory of strongly correlated electrons with and without slave boson technique

    International Nuclear Information System (INIS)

    Nguyen Van Hieu; Ha Vinh Tan; Nguyen Toan Thang; Nguyen Ai Viet.

    1988-10-01

    The Green functions of the electrons in the two-band Hubbard model with the strong on-site Coulomb repulsion were calculated by means of the perturbation theory with respect to the hopping term of the Hamiltonian. It was shown that in the slave boson technique we obtain the expressions different from the results of the calculations involving directly electron operators without using slave bosons. The physical meaning of this discrepancy was discussed. (author)

  20. Dynamical mean-field approach to materials with strong electronic correlations

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Leonov, I.; Kollar, M.; Byczuk, K.; Anisimov, V.I.; Vollhardt, D.

    2010-01-01

    Roč. 180, - (2010), s. 5-28 ISSN 1951-6355 Institutional research plan: CEZ:AV0Z10100521 Keywords : dynamical mean-field * electronic correlations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.838, year: 2010

  1. PREFACE: International Conference on Strongly Correlated Electron Systems 2014 (SCES2014)

    Science.gov (United States)

    2015-03-01

    The 2014 International Conference on Strongly Correlated Electron Systems (SCES) was held in Grenoble from the 7th to 11th of July on the campus of the University of Grenoble. It was a great privilege to have the conference in Grenoble after the series of meetings in Sendai (1992), San Diego (1993), Amsterdam (1994), Goa (1995), Zürich (1996), Paris (1998), Nagano (1999), Ann Arbor (2001), Krakow (2002), Karlsruhe (2004), Vienna (2005), Houston (2007), Buzios (2008), Santa Fe (2010), Cambridge (2011) and Tokyo (2013). Every three years, SCES joins the triennial conference on magnetism ICM. In 2015, ICM will take place in Barcelona. The meeting gathered an audience of 875 participants who actively interacted inside and outside of conference rooms. A large number of posters (530) was balanced with four parallel oral sessions which included 86 invited speakers and 141 short oral contributions. A useful arrangement was the possibility to put poster presentations on the website so participants could see them all through the conference week. Each morning two plenary sessions were held, ending on Friday with experimental and theoretical summaries delivered by Philipp Gegenwart (Augsburg) and Andrew Millis (Columbia). The plenary sessions were given by Gabriel Kotliar (Rutgers), Masashi Kawasaki (Tokyo), Jennifer Hoffman (Harvard), Mathias Vojta (Dresden), Ashvin Vishwanath (Berkeley), Andrea Cavalleri (Hamburg), Marc-Henri Julien (Grenoble), Neil Mathur (Cambridge), Giniyat Khaliullin (Stuttgart), and Toshiro Sakakibara (Tokyo). The parallel oral sessions were prepared by 40 symposium organizers selected by the chairman (Antoine Georges) and co-chairman (Kamran Behnia) of the Program Committee with the supplementary rule that speakers had not delivered an invited talk at the previous SCES conference held in 2013 in Tokyo. Special attention was given to help young researchers via grants to 40 overseas students. Perhaps due to the additional possibility of cheap

  2. Strongly Correlated Topological Insulators

    Science.gov (United States)

    2016-02-03

    Strongly Correlated Topological Insulators In the past year, the grant was used for work in the field of topological phases, with emphasis on finding...surface of topological insulators. In the past 3 years, we have started a new direction, that of fractional topological insulators. These are materials...in which a topologically nontrivial quasi-flat band is fractionally filled and then subject to strong interactions. The views, opinions and/or

  3. Parallel Large-scale Semidefinite Programming for Strong Electron Correlation: Using Correlation and Entanglement in the Design of Efficient Energy-Transfer Mechanisms

    Science.gov (United States)

    2014-09-24

    which nature uses strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an...strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm...published in peer-reviewed journals (N/A for none) Enter List of papers submitted or published that acknowledge ARO support from the start of the project

  4. Strongly correlated electrons at high pressure: an approach by inelastic X-Ray scattering; Electrons correles sous haute pression: une approche par diffusion inelastique des rayons X

    Energy Technology Data Exchange (ETDEWEB)

    Rueff, J.P

    2007-06-15

    Inelastic X-ray scattering (IXS) and associated methods has turn out to be a powerful alternative for high-pressure physics. It is an all-photon technique fully compatible with high-pressure environments and applicable to a vast range of materials. Standard focalization of X-ray in the range of 100 microns is typical of the sample size in the pressure cell. Our main aim is to provide an overview of experimental results obtained by IXS under high pressure in 2 classes of materials which have been at the origin of the renewal of condensed matter physics: strongly correlated transition metal oxides and rare-earth compounds. Under pressure, d and f-electron materials show behaviors far more complex that what would be expected from a simplistic band picture of electron delocalization. These spectroscopic studies have revealed unusual phenomena in the electronic degrees of freedom, brought up by the increased density, the changes in the charge-carrier concentration, the over-lapping between orbitals, and hybridization under high pressure conditions. Particularly we discuss about pressure induced magnetic collapse and metal-insulator transitions in 3d compounds and valence fluctuations phenomena in 4f and 5f compounds. Thanks to its superior penetration depth, chemical selectivity and resonant enhancement, resonant inelastic X-ray scattering has appeared extremely well suited to high pressure physics in strongly correlated materials. (A.C.)

  5. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    International Nuclear Information System (INIS)

    Heilmann, D.B.

    2007-02-01

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  6. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Heilmann, D.B.

    2007-02-15

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  7. Development of high-brightness ultrafast electron microscope for studying nanoscale dynamics associated with strongly correlated materials

    Science.gov (United States)

    Tao, Zhensheng

    Strongly correlated-electron materials are a class of materials that exhibit numerous intriguing emergent phenomena, including metal-to-insulator transition, colossal magnetoresistance, high-temperature superconductivity, etc. These phenomena are beyond the reach of the conventional solid state physics, which is based on the band theory. Instead, strong electron-electron correlations are found to play important roles, which leads to complicated interplay between different degrees of freedoms (charge, lattice, spins...). In this thesis, ultrafast electron diffraction (UED) is used to investigate the photo-induced ultrafast structural dynamics of strongly correlated materials, among which VO2 is taken as an exemplar system, one that reveals the fundamental physics behind photo-induced phase transitions, electron-electron correlation on nanometer scales, and the electron-phonon coupling in this exotic class of materials. The phenomena presented here are expected to have more general significance as they may reflect the physics to which other strongly correlated materials also conform. In polycrystalline VO2 thin films, the structural changes resulting from photoexcitation with femtosecond laser pulses with different wavelengths are observed to lead to non-thermal phase transitions, which require less energy compared to the phase transitions induced by thermal excitation. The details of the structural change are extracted from the UED results revealing stepwise atomic movements after photoexcitation, which suggests the phase transition starts with a dilation of the correlated d electrons. On the other hand, the structural phase transition is found to be decoupled from the metal-to-insulator transition when the sample dimension is reduced to the sub-micrometer scale, which is attributed to the interface charge doping effects from different substrates. A new phase (M3, monoclinic metallic phase) is distinguished, which has not been discussed by the existing theoretical

  8. Phase separation in strongly correlated electron systems with two types of charge carriers

    International Nuclear Information System (INIS)

    Kugel, K.I.; Rakhmanov, A.L.; Sboychakov, A.O.

    2007-01-01

    Full text: A competition between the localization of the charge carriers due to Jahn-Teller distortions and the energy gain due to their delocalization in doped manganite and related magnetic oxides is analyzed based on a Kondo-lattice type model. The resulting effective Hamiltonian is, in fact, a generalization of the Falicov-Kimball model. We find that the number of itinerant charge carriers can be significantly lower than that implied by the doping level x. The phase diagram of the model in the T plane is constructed. The system exhibits magnetic ordered (antiferromagnetic, ferromagnetic, or canted) states as well the paramagnetic states with zero and nonzero density of the itinerant electrons. It is shown that a phase-separation is favorable in energy for a wide doping range. The characteristic size of inhomogeneities in a phase-separated state is of the order of several lattice constants. We also analyzed the two-band Hubbard model in the limit of strong on-site Coulomb repulsion. It was shown that such a system has a tendency to phase separation into the regions with different charge densities even in the absence of magnetic or any other ordering, if the ratio of the bandwidths is large enough. The work was supported by the European project CoMePhS and by the Russian Foundation for Basic Research, project no. 05-02-17600. (authors)

  9. Predictive Modeling for Strongly Correlated f-electron Systems: A first-principles and database driven machine learning approach

    Science.gov (United States)

    Ahmed, Towfiq; Khair, Adnan; Abdullah, Mueen; Harper, Heike; Eriksson, Olle; Wills, John; Zhu, Jian-Xin; Balatsky, Alexander

    Data driven computational tools are being developed for theoretical understanding of electronic properties in f-electron based materials, e.g., Lanthanides and Actnides compounds. Here we show our preliminary work on Ce compounds. Due to a complex interplay among the hybridization of f-electrons to non-interacting conduction band, spin-orbit coupling, and strong coulomb repulsion of f-electrons, no model or first-principles based theory can fully explain all the structural and functional phases of f-electron systems. Motivated by the large need in predictive modeling of actinide compounds, we adopted a data-driven approach. We found negative correlation between the hybridization and atomic volume. Mutual information between these two features were also investigated. In order to extend our search space with more features and predictability of new compounds, we are currently developing electronic structure database. Our f-electron database will be potentially aided by machine learning (ML) algorithm to extract complex electronic, magnetic and structural properties in f-electron system, and thus, will open up new pathways for predictive capabilities and design principles of complex materials. NSEC, IMS at LANL.

  10. The strong correlation of the 4f electrons of erbium in silicon

    CERN Document Server

    Fu Yu Rui; Wang Xun; Ye Lin

    2003-01-01

    The local spin density approximation (LSDA) with the Hubbard model correction is adopted to describe the electronic structures of O-codoped Er-Si systems. The electrons in the 4f orbitals of Er atoms are taken as localized electrons in the framework of an all-electron treatment. The total density of states (DOS) and the partial densities of states for Si(3s, 3p), Er(4f), Er(5d), Er(6s), O(2s), and O(2p) in this ErSiO system are calculated. It is found that the inclusion of the Hubbard U greatly influences the partial DOS of the Er 4f electrons. The separation between the spin-up and the spin-down states of the highly localized 4f orbitals is larger than that of the LSDA results obtained without considering the Hubbard U-parameter. The calculation results provide possible explanations of the experimentally observed erbium-induced impurity energy levels in Si detected by deep-level transient spectroscopy.

  11. Strain-Induced Enhancement of the Electron Energy Relaxation in Strongly Correlated Superconductors

    Directory of Open Access Journals (Sweden)

    C. Gadermaier

    2014-03-01

    Full Text Available We use femtosecond optical spectroscopy to systematically measure the primary energy relaxation rate Γ_{1} of photoexcited carriers in cuprate and pnictide superconductors. We find that Γ_{1} increases monotonically with increased negative strain in the crystallographic a axis. Generally, the Bardeen-Shockley deformation potential theorem and, specifically, pressure-induced Raman shifts reported in the literature suggest that increased negative strain enhances electron-phonon coupling, which implies that the observed direct correspondence between a and Γ_{1} is consistent with the canonical assignment of Γ_{1} to the electron-phonon interaction. The well-known nonmonotonic dependence of the superconducting critical temperature T_{c} on the a-axis strain is also reflected in a systematic dependence T_{c} on Γ_{1}, with a distinct maximum at intermediate values (∼16  ps^{−1} at room temperature. The empirical nonmonotonic systematic variation of T_{c} with the strength of the electron-phonon interaction provides us with unique insight into the role of electron-phonon interaction in relation to the mechanism of high-T_{c} superconductivity as a crossover phenomenon.

  12. Reply to ``Comment on `Cluster methods for strongly correlated electron systems' ''

    Science.gov (United States)

    Biroli, G.; Kotliar, G.

    2005-01-01

    We reply to the Comment by Aryanpour, Maier, and Jarrell [Phys. Rev. B 71, 037101 (2005)] on our paper [Phys. Rev. B 65, 155112 (2002)]. We demonstrate, using general arguments and explicit examples, that whenever the correlation length is finite, local observables converge exponentially fast in the cluster size Lc within cellular dynamical mean field theory. This is a faster rate of convergence than the 1/ L2c behavior of the dynamical cluster approximation, thus refuting the central assertion of their Comment.

  13. Correlated electron-ion collisions in a strong laser field; Korrelierte Elektron-Ion-Stoesse in starken Laserfeldern

    Energy Technology Data Exchange (ETDEWEB)

    Ristow, T.

    2007-12-17

    Electron-ion-collisions in plasmas in the presence of an ultra-short intensive laser pulse can cause high energy transfers to the electrons. During the collision the oscillation energy of the electron in the laser field is changed into drift energy. In this regime, multi-photon processes, known from the ionization of neutral atoms (Above-Threshold Ionization), and successive, so called correlated collisions, are important. The subject of the thesis is a study of binary Coulomb collisions in strong laser fields. The collisions are treated both in the context of classical Newtonian mechanics and in the quantum-mechanical framework by the Schroedinger equation. In the classical case a simplified instantaneous collision model and a complete dynamical treatment are discussed. Collisions can be treated instantaneously, if the ratio of the impact parameter to the quiver amplitude is small. The energy distributions calculated in this approximation show an elastic peak and a broad plateau due to rescattered electrons. At incident velocities smaller than the quiver velocity, correlated collisions are observed in the electron trajectories of the dynamical model. This effect leads to characteristic momentum distributions of the electrons, that are explicitly calculated and compared with the results of the instantaneous model. In addition, the time-dependence of the collisions is discussed in the framework of a singular perturbation theory. The complete description of the Coulomb scattering requires a quantum-mechanical description. A time-dependent method of wave-packet scattering is used and the corresponding time-dependent three-dimensional Schroedinger equation is solved by an implicit ADImethod on a spatial grid. The momentum and the energy distributions of the scattered electrons are calculated by the Fourier transformation of the wavefunction. A comparison of the scattering from a repulsive and an attractive potential is used to distinguish between simple collisions and

  14. The contribution of Diamond Light Source to the study of strongly correlated electron systems and complex magnetic structures.

    Science.gov (United States)

    Radaelli, P G; Dhesi, S S

    2015-03-06

    We review some of the significant contributions to the field of strongly correlated materials and complex magnets, arising from experiments performed at the Diamond Light Source (Harwell Science and Innovation Campus, Didcot, UK) during the first few years of operation (2007-2014). We provide a comprehensive overview of Diamond research on topological insulators, multiferroics, complex oxides and magnetic nanostructures. Several experiments on ultrafast dynamics, magnetic imaging, photoemission electron microscopy, soft X-ray holography and resonant magnetic hard and soft X-ray scattering are described. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  15. Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

    2016-04-28

    We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

  16. Photoemission in strongly correlated crystalline f-electron systems: A need for a new approach

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Joyce, J.J.; Sarrao, J. [and others

    1998-12-01

    The unusual properties of heavy fermion (or heavy electron) materials have sparked an avalanche of research over the last two decades in order to understand the basic phenomena responsible for these properties. Photoelectron spectroscopy (often referred to as PES in the following sections), the most direct measurement of the electronic structure of a material, should in principle be able to shed considerable light on this matter. In general the distinction between a localized and a band-like state is trivially observed in band dispersion. Much of the past work was performed on poly-crystalline samples, scraped in-situ to expose a clean surface for PES. There have since been considerable advances both in the quality of specimens as well as experimental resolution, which raise questions regarding these conclusions. Much of the past work on poly-crystalline samples has been reported in several review articles, most notably Allen et al., and it is not necessary here to review those efforts again, with the exception of subsequent work performed at high resolution. The primary focus of the present review will be on new measurements obtained on single crystals, cleaved or prepared in situ and measured at high resolution, which seem to suggest that agreement with the GS and NCA approximations is less than perfect, and that perhaps the starting models need to be modified, or that even an entirely new approach is called for. Of the promising new models the Periodic Anderson Model is most closely related to the SIM. Indeed, at high temperatures it reverts to the SIM. However, the charge polaron model of Liu (1997) as well as the two-electron band model of Sheng and Cooper (1995) cannot yet be ruled out. Inasmuch as the bulk of the single crystal work was performed by the Los Alamos group, this review will draw heavily on those results. Moreover, since the GS and NCA approximations represent the most comprehensive and widely accepted treatment of heavy fermion PES, it is only

  17. Assessing the importance of frustration in a narrow-band strongly correlated electronic chain

    International Nuclear Information System (INIS)

    Lal, Siddhartha; Laad, Mukul S.

    2007-08-01

    We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. In this limit, we find the one dimensional transverse field Ising model (TFIM) to be the effective Hamiltonian governing the dynamics of the charge degrees of freedom. We find two different charge-ordered (CO) ground states as the strength of the longer range interactions is varied. At lower energies, these CO states drive two different spin-ordered ground states. A variety of response functions computed here bear a remarkable resemblance to recent experimental observations for organic TMTSF systems, and so we propose that these systems are proximate to a QCP associated with T = 0 charge order. (author)

  18. Effects of strong electron correlations in Ti8C12 Met-Car

    International Nuclear Information System (INIS)

    Varganov, Sergey A.; Gordon, Mark S.

    2006-01-01

    The results of multireference configuration interaction (MRCI) with single and double excitations and single reference coupled cluster (CCSD(T)) calculations on Ti 8 C 12 metallocarbohedryne (Met-Car) are reported. The distortions of the T d structure to D 2d and C 3v structures due to the Jahn-Teller effect are studied. It is shown that the Ti 8 C 12 wave function has significant multireference character. The choice of the active space for multireference self-consistent field (MCSCF) calculations is discussed. The failure of multireference perturbation theory with a small active space is attributed to multiple intruder states. A new, novel type of MCSCF calculation, ORMAS (occupation restricted multiple active spaces) with a large active space are carried out for several electronic states of Ti 8 C 12 . The Jahn-Teller distorted D 2d 1 A 1 (nearly T d ) structure is predicted to be the Ti 8 C 12 ground state. Predictions of the Ti 8 C 12 ionization potential with different ab initio methods are presented

  19. Magnetic and resonant X-ray scattering investigations of strongly correlated electron systems; Etude de systemes electroniques fortement correles par diffusion magnetique et resonnante des rayons X

    Energy Technology Data Exchange (ETDEWEB)

    Paolasini, L.; Bergevin, F. de [European Synchrotron Radiation Facility, 38 - Grenoble (France)

    2008-06-15

    Resonant X-ray scattering is a method which combines high-Q resolution X-ray elastic diffraction and atomic core-hole spectroscopy for investigating electronic and magnetic long-range ordered structures in condensed matter. During recent years the development of theoretical models to describe resonant X-ray scattering amplitudes and the evolution of experimental techniques, which include the control and analysis of linear photon polarization and the introduction of extreme environment conditions such as low temperatures, high magnetic field and high pressures, have opened a new field of investigation in the domain of strongly correlated electron systems. (authors)

  20. Time-resolved THz studies of carrier dynamics in semiconductors, superconductors, and strongly-correlated electron materials

    Energy Technology Data Exchange (ETDEWEB)

    Kaindl, Robert A.; Averitt, Richard D.

    2006-11-14

    Perhaps the most important aspect of contemporary condensed matter physics involves understanding strong Coulomb interactions between the large number of electrons in a solid. Electronic correlations lead to the emergence of new system properties, such as metal-insulator transitions, superconductivity, magneto-resistance, Bose-Einstein condensation, the formation of excitonic gases, or the integer and fractional Quantum Hall effects. The discovery of high-Tc superconductivity in particular was a watershed event, leading to dramatic experimental and theoretical advances in the field of correlated-electron systems. Such materials often exhibit competition between the charge, lattice, spin, and orbital degrees of freedom, whose cause-effect relationships are difficult to ascertain. Experimental insight into the properties of solids is traditionally obtained by time-averaged probes, which measure e.g., linear optical spectra, electrical conduction properties, or the occupied band structure in thermal equilibrium. Many novel physical properties arise from excitations out of the ground state into energetically higher states by thermal, optical, or electrical means. This leads to fundamental interactions between the system's constituents, such as electron-phonon and electron-electron interactions, which occur on ultrafast timescales. While these interactions underlie the physical properties of solids, they are often only indirectly inferred from time-averaged measurements. Time-resolved spectroscopy, consequently, is playing an ever increasing role to provide insight into light-matter interaction, microscopic processes, or cause-effect relationships that determine the physics of complex materials. In the past, experiments using visible and near-infrared femtosecond pulses have been extensively employed, e.g. to follow relaxation and dephasing processes in metals and semiconductors. However, many basic excitations in strongly-correlated electron systems and nanoscale

  1. Onset of magnetic order in strongly-correlated systems from ab initio electronic structure calculations: application to transition metal oxides

    Science.gov (United States)

    Hughes, I. D.; Däne, M.; Ernst, A.; Hergert, W.; Lüders, M.; Staunton, J. B.; Szotek, Z.; Temmerman, W. M.

    2008-06-01

    We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation (SIC-LSDA). The self-interaction correction is implemented locally, within the Kohn-Korringa-Rostoker (KKR) multiple-scattering method. Thermally induced magnetic fluctuations are treated using a mean-field 'disordered local moment' (DLM) approach and at no stage is there a fitting to an effective Heisenberg model. We apply the theory to the 3d transition metal oxides, where our calculations reproduce the experimental ordering tendencies, as well as the qualitative trend in ordering temperatures. We find a large insulating gap in the paramagnetic state which hardly changes with the onset of magnetic order.

  2. Calculations of the one-body electronic structure of the strongly correlated systems including self-energy effects

    Energy Technology Data Exchange (ETDEWEB)

    Costa-Quintana, J.; Sanchez-Lopez, M.M.; Lopez-Aguilar, F. [Grup d`Electromagnetisme, Edifici Cn, Universitat Autonoma de Barcelona 08193, Bellaterra, Barcelona (Spain)

    1996-10-01

    We give a method to obtain the quasiparticle band structure and renormalized density of states by diagonalizing the interacting system Green function. This method operates for any self-energy approximation appropriated to strongly correlated systems. Application to CeSi{sub 2} and YBa{sub 2}Cu{sub 3}O{sub 7} is analyzed as a probe for this band calculation method. {copyright} {ital 1996 The American Physical Society.}

  3. Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and size.

    Science.gov (United States)

    Pelzer, Kenley; Greenman, Loren; Gidofalvi, Gergely; Mazziotti, David A

    2011-06-09

    Polyaromatic hydrocarbons (PAHs) are a class of organic molecules with importance in several branches of science, including medicine, combustion chemistry, and materials science. The delocalized π-orbital systems in PAHs require highly accurate electronic structure methods to capture strong electron correlation. Treating correlation in PAHs has been challenging because (i) traditional wave function methods for strong correlation have not been applicable since they scale exponentially in the number of strongly correlated orbitals, and (ii) alternative methods such as the density-matrix renormalization group and variational two-electron reduced density matrix (2-RDM) methods have not been applied beyond linear acene chains. In this paper we extend the earlier results from active-space variational 2-RDM theory [Gidofalvi, G.; Mazziotti, D. A. J. Chem. Phys. 2008, 129, 134108] to the more general two-dimensional arrangement of rings--acene sheets--to study the relationship between geometry and electron correlation in PAHs. The acene-sheet calculations, if performed with conventional wave function methods, would require wave function expansions with as many as 1.5 × 10(17) configuration state functions. To measure electron correlation, we employ several RDM-based metrics: (i) natural-orbital occupation numbers, (ii) the 1-RDM von Neumann entropy, (iii) the correlation energy per carbon atom, and (iv) the squared Frobenius norm of the cumulant 2-RDM. The results confirm a trend of increasing polyradical character with increasing molecular size previously observed in linear PAHs and reveal a corresponding trend in two-dimensional (arch-shaped) PAHs. Furthermore, in PAHs of similar size they show significant variations in correlation with geometry. PAHs with the strictly linear geometry (chains) exhibit more electron correlation than PAHs with nonlinear geometries (sheets).

  4. Strongly correlated systems experimental techniques

    CERN Document Server

    Mancini, Ferdinando

    2015-01-01

    The continuous evolution and development of experimental techniques is at the basis of any fundamental achievement in modern physics. Strongly correlated systems (SCS), more than any other, need to be investigated through the greatest variety of experimental techniques in order to unveil and crosscheck the numerous and puzzling anomalous behaviors characterizing them. The study of SCS fostered the improvement of many old experimental techniques, but also the advent of many new ones just invented in order to analyze the complex behaviors of these systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. The volume presents a representative collection of the modern experimental techniques specifically tailored for the analysis of strongly correlated systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognize...

  5. Strongly Correlated Systems Theoretical Methods

    CERN Document Server

    Avella, Adolfo

    2012-01-01

    The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as po...

  6. Strongly correlated systems numerical methods

    CERN Document Server

    Mancini, Ferdinando

    2013-01-01

    This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possi...

  7. Two strongly correlated electron systems: the Kondo mode in the strong coupling limit and a 2-D model of electrons close to an electronic topological transition; Deux systemes d'electrons fortement correles: le modele de reseau Kondo dans la limite du couplage fort et un modele bidimensionnel d'electrons au voisinage d'une transition topologique electronique

    Energy Technology Data Exchange (ETDEWEB)

    Bouis, F

    1999-10-14

    Two strongly correlated electron systems are considered in this work, Kondo insulators and high Tc cuprates. Experiments and theory suggest on one hand that the Kondo screening occurs on a rather short length scale and on the other hand that the Kondo coupling is renormalized to infinity in the low energy limit. The strong coupling limit is then the logical approach although the real coupling is moderate. A systematic development is performed around this limit in the first part. The band structure of these materials is reproduced within this scheme. Magnetic fluctuations are also studied. The antiferromagnetic transition is examined in the case where fermionic excitations are shifted to high energy. In the second part, the Popov and Fedotov representation of spins is used to formulate the Kondo and the antiferromagnetic Heisenberg model in terms of a non-polynomial action of boson fields. In the third part the properties of high Tc cuprates are explained by a change of topology of the Fermi surface. This phenomenon would happen near the point of optimal doping and zero temperature. It results in the appearance of a density wave phase in the under-doped regime. The possibility that this phase has a non-conventional symmetry is considered. The phase diagram that described the interaction and coexistence of density wave and superconductivity is established in the mean-field approximation. The similarities with the experimental observations are numerous in particular those concerning the pseudo-gap and the behavior of the resistivity near optimal doping. (author)

  8. Transport phenomena in strongly correlated Fermi liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kontani, Hiroshi [Nagoya Univ., Aichi (Japan). Dept. of Physics

    2013-03-01

    Comprehensive overview. Written by an expert of this topic. Provides the reader with current developments in the field. In conventional metals, various transport coefficients are scaled according to the quasiparticle relaxation time, {tau}, which implies that the relaxation time approximation (RTA) holds well. However, such a simple scaling does not hold in many strongly correlated electron systems, reflecting their unique electronic states. The most famous example would be cuprate high-Tc superconductors (HTSCs), where almost all the transport coefficients exhibit a significant deviation from the RTA results. To better understand the origin of this discrepancy, we develop a method for calculating various transport coefficients beyond the RTA by employing field theoretical techniques. Near the magnetic quantum critical point, the current vertex correction (CVC), which describes the electron-electron scattering beyond the relaxation time approximation, gives rise to various anomalous transport phenomena. We explain anomalous transport phenomena in cuprate HTSCs and other metals near their magnetic or orbital quantum critical point using a uniform approach. We also discuss spin related transport phenomena in strongly correlated systems. In many d- and f-electron systems, the spin current induced by the spin Hall effect is considerably greater because of the orbital degrees of freedom. This fact attracts much attention due to its potential application in spintronics. We discuss various novel charge, spin and heat transport phenomena in strongly correlated metals.

  9. Quantum Transport in Strongly Correlated Systems

    DEFF Research Database (Denmark)

    Bohr, Dan

    2007-01-01

    the density matrix renormalization group (DMRG) method. We present two DMRG setups for calculating the linear conductance of strongly correlated nanostructures in the infinitesimal source-drain voltage regime. The first setup describes the leads by modified real-space tight-binding chains, whereas the second...... screening plays a much less significant role than in bulk systems due to the reduced size of the objects, therefore making it necessary to consider the importance of correlations between electrons. The work presented in this thesis deals with quantum transport through strongly correlated systems using....... Thus both coherence and correlation effects are important in this model, and the methods applied should be able to handle both these effects rigorously. We present the DMRG setup for this model and benchmark against existing Greens function results for the model. Then we present initial DMRG results...

  10. Strong Correlation Physics in Aromatic Hydrocarbon Superconductors

    Science.gov (United States)

    Capone, Massimo; Giovannetti, Gianluca

    2012-02-01

    We show, by means of ab-initio calculations, that electron-electron correlations play an important role in doped aromatic hydrocarbon superconductors, including potassium doped picene with Tc= 18K [1], coronene and phenanthrene [2]. For the case of picene the inclusion of exchange interactions by means of hybrid functionals reproduces the correct gap for the undoped compound and predicts an antiferromagnetic state for x=3, where superconductivity has been observed [3]. The latter finding is compatible with a sizable value of the correlation strength. The differences between the different compounds are analyzed and results of Dynamical Mean-Field Theory including both correlation effects and electron-phonon interactions are presented. Finally we discuss the consequences of strong correlations in an organic superconductor in relation to the properties of Cs3C60, in which electron correlations drive an antiferromagnetic state [4] but also lead to an enhancement of superconductivity [5]. 1. R. Mitsuhashi et al. Nature 464, 76 (2010)2. X.F. Wang et al, Nat. Comm. 2, 507 (2011)3. G. Giovannetti and M. Capone, Phys. Rev. B 83, 134508 (2011)4. Y. Takabayashi et al., Science 323, 1585 (2009)5. M. Capone et al. Rev. Mod. Phys. 81, 943 (2009

  11. Transport phenomena in strongly correlated Fermi liquids

    CERN Document Server

    Kontani, Hiroshi

    2013-01-01

    In conventional metals, various transport coefficients are scaled according to the quasiparticle relaxation time, \\tau, which implies that the relaxation time approximation (RTA) holds well. However, such a simple scaling does not hold in many strongly correlated electron systems, reflecting their unique electronic states. The most famous example would be cuprate high-Tc superconductors (HTSCs), where almost all the transport coefficients exhibit a significant deviation from the RTA results. To better understand the origin of this discrepancy, we develop a method for calculating various transport coefficients beyond the RTA by employing field theoretical techniques. Near the magnetic quantum critical point, the current vertex correction (CVC), which describes the electron-electron scattering beyond the relaxation time approximation, gives rise to various anomalous transport phenomena. We explain anomalous transport phenomena in cuprate HTSCs and other metals near their magnetic or orbital quantum critical poi...

  12. Electronic Correlation Strength of Pu

    DEFF Research Database (Denmark)

    Svane, A.; C. Albers, R.; E. Christensen, N.

    2013-01-01

    A new electronic quantity, the correlation strength, is defined as a necessary step for understanding the properties and trends in strongly correlated electronic materials. As a test case, this is applied to the different phases of elemental Pu. Within the GW approximation we have surprisingly...... found a "universal" scaling relationship, where the f-electron bandwidth reduction due to correlation effects is shown to depend only upon the local density approximation (LDA) bandwidth and is otherwise independent of crystal structure and lattice constant....

  13. PREFACE: Correlated Electrons (Japan)

    Science.gov (United States)

    Miyake, Kazumasa

    2007-03-01

    This issue of Journal of Physics: Condensed Matter is dedicated to results in the field of strongly correlated electron systems under multiple-environment. The physics of strongly correlated electron systems (SCES) has attracted much attention since the discovery of superconductivity in CeCu_2 Si_2 by Steglich and his co-workers a quater-century ago. Its interest has been intensified by the discovery of high-Tc superconductivity in a series of cuprates with layered perovskite structure which are still under active debate. The present issue of Journal of Physics: Condensed Matter present some aspects of SCES physics on the basis of activities of a late project "Centre-Of-Excellence" supported by MEXT (Ministry of Education, Sports, Science, Culture and Technology of the Japanese Government). This project has been performed by a condensed matter physics group in the faculties of science and engineering science of Osaka University. Although this project also covers correlated phenomena in optics and nano-scale systems, we focus here on the issues of SCES related to superconductivity, mainly unconventional. The present issue covers the discussions on a new mechanism of superconductivity with electronic origin (critical valence fluctuation mechanism), interplay and unification of magnetism and superconductivity in SCES based on a systematic study of NQR under pressure, varieties of Fermi surface of Ce- and U-based SCES probed by the de Haas-van Alphen effect, electronic states probed by a bulk sensitive photoemission spectroscopy with soft X-ray, pressure induced superconductivity of heavy electron materials, pressure dependence of superconducting transition temperature based on a first-principle calculation, and new superconductors under very high-pressure. Some papers offer readers' reviews of the relevant fields and/or include new developments of this intriguing research field of SCES. Altogether, the papers within this issue outline some aspects of electronic states

  14. Strong Electron Correlation in the High-Temperature Phase of (EDO-TTF)2PF6 as a Quasi-One-Dimensional Molecular Conductor

    Science.gov (United States)

    Iwano, Kaoru; Shimoi, Yukihiro

    2010-10-01

    We focus on the electronic property of the high-temperature phase of (EDO-TTF)2PF6. Applying a cluster-based density-functional theory (DFT) calculation augmented by a self-consistent environment, we recognize a strong electron-electron repulsion in a dimer-Mott-type ground state. On the basis of this ground state, we obtain an absorption spectrum that takes a form of a single peak in the mid-infrared (mid-IR) region. We next analyze a Hubbard model with alternate transfers, of which the values are determined by the DFT calculations. The obtained absorption peak energy is comparable to the mid-IR peak energy observed in the experiment. Finally, we also investigate other one-dimensional conductors, (TMTSF)2PF6 and (TMTTF)2PF6, which are known as correlated metals, and conclude that (EDO-TTF)2PF6 also falls in this category, in spite of its unique (0110)-type charge ordering observed in the low-temperature phase.

  15. Strongly correlating liquids and their isomorphs

    OpenAIRE

    Pedersen, Ulf R.; Gnan, Nicoletta; Bailey, Nicholas P.; Schröder, Thomas B.; Dyre, Jeppe C.

    2010-01-01

    This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental predictions for strongly correlating glass-forming liquids. These predictions include i) density scaling, ii) isochronal superposition, iii) that there is a single function from which all frequency-dependent viscoelastic response functions may be calculated, iv) that...

  16. Theoretical studies of strongly correlated fermions

    Energy Technology Data Exchange (ETDEWEB)

    Logan, D. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Strongly correlated fermions are investigated. An understanding of strongly correlated fermions underpins a diverse range of phenomena such as metal-insulator transitions, high-temperature superconductivity, magnetic impurity problems and the properties of heavy-fermion systems, in all of which local moments play an important role. (author).

  17. Quantum Liquid Crystal Phases in Strongly Correlated Fermionic Systems

    Science.gov (United States)

    Sun, Kai

    2009-01-01

    This thesis is devoted to the investigation of the quantum liquid crystal phases in strongly correlated electronic systems. Such phases are characterized by their partially broken spatial symmetries and are observed in various strongly correlated systems as being summarized in Chapter 1. Although quantum liquid crystal phases often involve…

  18. A novel VU-MRCC formalism for the simultaneous treatment of strong relaxation and correlation effects with applications to electron affinity of neutral radicals

    International Nuclear Information System (INIS)

    Jana, Debasis; Datta, Dipayan; Mukherjee, Debashis

    2006-01-01

    We present and implement in this paper a novel spin-free valence-universal multi-reference coupled cluster (VU-MRCC) formalism for energy differences which can capture orbital relaxation and correlation relaxation to all orders. Unlike in the traditional normal ordered cluster Ansatz for computing energy differences, this cluster expansion formalism allows contractions between various valence excitation operators with valence spectator lines. These contractions simulate the orbital relaxation and correlation relaxation effects for the ionized/excited states via Thouless-like exponential type of operators. Generally such operators are non-commuting. To ensure that each distinct excitation generated by contracted composites formed by these operators appear only once in the wave-operators, the factors accompanying these composites have to be judiciously chosen. Hence, the combinatoric factors accompanying such contracted composites are not taken to be 1/n! for nth-power, but rather the inverse of the automorphic factor (the number of ways the n operators can be connected in various permutations generating the same composite). It is shown that this Ansatz leads to a set of VU-MRCC equations for the valence cluster amplitudes, in which all the cluster operators are attached to the hamiltonian by at least one non-spectator line (a strongly connected series). The series is thus terminating at the quartic power. Illustrative applications are presented by computing electron affinity of neutral doublet radicals (viz., NH 2 , OH, F, BO and CN), where the orbital relaxation effect attendant on the anion formation is considerable. Several basis-sets capable of describing the anions have been studied. It has been found that aug-cc-pVTZ basis gives the best overall results, while aug-cc-pVQZ overestimates the electron affinity, presumably because of an imbalance in describing the neutral radicals. The method performs consistently much better then the one with the traditional

  19. Electron correlation in molecules

    CERN Document Server

    Wilson, S

    2007-01-01

    Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules.Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equatio

  20. The strongly correlated electron systems CeNi sub 2 Ge sub 2 and Sr sub 2 RuO sub 4

    CERN Document Server

    Diver, A J

    1996-01-01

    susceptibility and magnetoresistance on a single crystal CeNi sub 2 Ge sub 2 sample are discussed. The low temperature resistivity is found to show non-Fermi liquid behaviour both at low field and at 16 T. Chapter four is concerned with the layered perovskite superconductor Sr sub 2 RuO sub 4 which has a very similar structure to the La sub 2 sub - sub x Sr sub x CuO sub 4 family of high-T sub c superconductors. De Haas-van Alphen oscillations were detected allowing a study in which all of the Fermi surface sheets were detected. These oscillations are analysed and shown to obey the form expected for a conventional Fermi liquid. The results are compared with the predictions of recent band structure calculations. Measurements of the Hall effect and upper critical field for superconductivity are explained in terms of the measured Fermi surface. Strongly correlated electron systems provide many challenges for condensed matter physics which attempts to find new ways to understand the behaviour of vast numbers of p...

  1. Universal behavior of strongly correlated Fermi systems

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, Vasilii R [B.P. Konstantinov St. Petersburg Institute of Nuclear Physics, Russian Academy of Sciences, Gatchina, Leningrad region, Rusian Federation (Russian Federation); Amusia, M Ya [A.F. Ioffe Physico-Technical Institute, Russian Academy of Sciences, St. Petersburg (Russian Federation); Popov, Konstantin G [Komi Scientific Center, Ural Branch of the Russian Academy of Sciences, Syktyvkar (Russian Federation)

    2007-06-30

    This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T{sub c} superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

  2. Universal behavior of strongly correlated Fermi systems

    International Nuclear Information System (INIS)

    Shaginyan, Vasilii R; Amusia, M Ya; Popov, Konstantin G

    2007-01-01

    This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T c superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

  3. Noise Spectroscopy in Strongly Correlated Oxides

    Science.gov (United States)

    Alsaqqa, Ali M.

    Strongly correlated materials are an interesting class of materials, thanks to the novel electronic and magnetic phenomena they exhibit as a result of the interplay of various degrees of freedom. This gives rise to an array of potential applications, from Mott-FET to magnetic storage. Many experimental probes have been used to study phase transitions in strongly correlated oxides. Among these, resistance noise spectroscopy, together with conventional transport measurements, provides a unique viewpoint to understand the microscopic dynamics near the phase transitions in these oxides. In this thesis, utilizing noise spectroscopy and transport measurements, four different strongly correlated materials were studied: (1) neodymium nickel oxide (NdNiO 3) ultrathin films, (2) vanadium dioxide (VO2) microribbons, (3) copper vanadium bronze (CuxV2O 5) microribbons and (4) niobium triselenide (NbSe3) microribbons. Ultra thin films of rare-earth nickelates exhibit several temperature-driven phase transitions. In this thesis, we studied the metal-insulator and Neel transitions in a series of NdNiO3 films with different lattice mismatches. Upon colling down, the metal-insulator phase transition is accompanied by a structural (orthorohombic to monoclinic) and magnetic (paramagnetic to antiferromagnetic) transitions as well, making the problem more interesting and complex at the same time. The noise is of the 1/f type and is Gaussian in the high temperature phase, however deviations are seen in the low temperature phases. Below the metal-insulator transition, noise magnitude increases by orders of magnitude: a sign of inhomogeneous electrical conduction as result of phase separation. This is further assured by the non-Gaussian noise signature. At very low temperatures (T thesis, we tried to answer this question by utilizing three different tuning parameters: temperature, voltage bias and strain. Our results point to an unusual noise behavior in the high-temperature metallic phase

  4. Correlated Electrons in Reduced Dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Bonesteel, Nicholas E [Florida State Univ., Tallahassee, FL (United States)

    2015-01-31

    This report summarizes the work accomplished under the support of US DOE grant # DE-FG02-97ER45639, "Correlated Electrons in Reduced Dimensions." The underlying hypothesis of the research supported by this grant has been that studying the unique behavior of correlated electrons in reduced dimensions can lead to new ways of understanding how matter can order and how it can potentially be used. The systems under study have included i) fractional quantum Hall matter, which is realized when electrons are confined to two-dimensions and placed in a strong magnetic field at low temperature, ii) one-dimensional chains of spins and exotic quasiparticle excitations of topologically ordered matter, and iii) electrons confined in effectively ``zero-dimensional" semiconductor quantum dots.

  5. Electron correlations in quantum dots

    International Nuclear Information System (INIS)

    Tipton, Denver Leonard John

    2001-01-01

    Quantum dot structures confine electrons in a small region of space. Some properties of semiconductor quantum dots, such as the discrete energy levels and shell filling effects visible in addition spectra, have analogies to those of atoms and indeed dots are sometimes referred to as 'artificial atoms'. However, atoms and dots show some fundamental differences due to electron correlations. For real atoms, the kinetic energy of electrons dominates over their mutual Coulomb repulsion energy and for this reason the independent electron approximation works well. For quantum dots the confining potential may be shallower than that of real atoms leading to lower electron densities and a dominance of mutual Coulomb repulsion over kinetic energy. In this strongly correlated regime the independent electron picture leads to qualitatively incorrect results. This thesis concentrates on few-electron quantum dots in the strongly correlated regime both for quasi-one-dimensional and two-dimensional dots in a square confining potential. In this so-called 'Wigner' regime the ground-state electronic charge density is localised near positions of classical electrostatic minima and the interacting electronic spectrum consists of well separated spin multiplets. In the strongly correlated regime the structure of low-energy multiplets is explained by mapping onto lattice models with extended-Hubbard and Heisenberg effective Hamiltonians. The parameters for these effective models are calculated within a Hartree approximation and are shown to reproduce well the exact results obtained by numerical diagonalisation of the full interacting Hamiltonian. Comparison is made between square dots and quantum rings with full rotational symmetry. In the very low-density regime, direct diagonalisation becomes impractical due to excessive computer time for convergence. In this regime a numerical renormalisation group method is applied to one-dimensional dots, enabling effective spin-interactions to be

  6. Excitonic condensation of strongly correlated electrons: the case of Pr.sub.0.5./sub. Ca.sub.0.5./sub. CoO.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Augustinský, Pavel

    2014-01-01

    Roč. 90, č. 23 (2014), "235112-1"-"235112-5" ISSN 1098-0121 R&D Projects: GA ČR GA13-25251S Institutional support: RVO:68378271 Keywords : excitonic condensation * strongly correlated electrons * cobaltites Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  7. Charge frustration and quantum criticality for strongly correlated fermions

    NARCIS (Netherlands)

    Huijse, L.; Halverson, J.; Fendley, P.; Schoutens, K.

    2008-01-01

    We study a model of strongly correlated electrons on the square lattice which exhibits charge frustration and quantum critical behavior. The potential is tuned to make the interactions supersymmetric. We establish a rigorous mathematical result which relates quantum ground states to certain tiling

  8. Towards TDDFT for Strongly Correlated Materials

    Directory of Open Access Journals (Sweden)

    Shree Ram Acharya

    2016-09-01

    Full Text Available We present some details of our recently-proposed Time-Dependent Density-Functional Theory (TDDFT for strongly-correlated materials in which the exchange-correlation (XC kernel is derived from the charge susceptibility obtained using Dynamical Mean-Field Theory (the TDDFT + DMFT approach. We proceed with deriving the expression for the XC kernel for the one-band Hubbard model by solving DMFT equations via two approaches, the Hirsch–Fye Quantum Monte Carlo (HF-QMC and an approximate low-cost perturbation theory approach, and demonstrate that the latter gives results that are comparable to the exact HF-QMC solution. Furthermore, through a variety of applications, we propose a simple analytical formula for the XC kernel. Additionally, we use the exact and approximate kernels to examine the nonhomogeneous ultrafast response of two systems: a one-band Hubbard model and a Mott insulator YTiO3. We show that the frequency dependence of the kernel, i.e., memory effects, is important for dynamics at the femtosecond timescale. We also conclude that strong correlations lead to the presence of beats in the time-dependent electric conductivity in YTiO3, a feature that could be tested experimentally and that could help validate the few approximations used in our formulation. We conclude by proposing an algorithm for the generalization of the theory to non-linear response.

  9. Phase diagram of strongly correlated Fermi systems

    International Nuclear Information System (INIS)

    Zverev, M.V.; Khodel', V.A.; Baldo, M.

    2000-01-01

    Phase transitions in uniform Fermi systems with repulsive forces between the particles caused by restructuring of quasiparticle filling n(p) are analyzed. It is found that in terms of variables, i.e. density ρ, nondimensional binding constant η, phase diagram of a strongly correlated Fermi system for rather a wide class of interactions reminds of a puff-pastry pie. Its upper part is filled with fermion condensate, the lower one - with normal Fermi-liquid. They are separated by a narrow interlayer - the Lifshits phase, characterized by the Fermi multibound surface [ru

  10. TRANSPORT PROPERTIES OF THE STRONGLY CORRELATED SYSTEMS

    Directory of Open Access Journals (Sweden)

    T.Domanski

    2004-01-01

    Full Text Available The transport properties of various systems are studied here in the context of three different models. These are: - the disordered Hubbard model applicable to correlated binary alloys with a general disorder, - the Anderson model used in describing the Kondo physics of a quantum dot connected to the external superconducting leads, and - the Ranninger-Robaszkiewicz model applied to the study of optical properties of the system with preformed electron pairs above the temperature of transition to the superconducting state. We calculate the density of states, specific heat, the Wilson ratio and conductivity of the correlated binary alloy with off-diagonal disorder. We investigate the conditions under which the Kondo peak appears in the density of states and in the conductance of a dot coupled to the external superconducting leads. We analyze the effect of the pseudogap on the optical spectra in the high temperature superconductors described by the boson-fermion model.

  11. Machine Learning Phases of Strongly Correlated Fermions

    Directory of Open Access Journals (Sweden)

    Kelvin Ch’ng

    2017-08-01

    Full Text Available Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated fermions on cubic lattices. We show that a three-dimensional convolutional network trained on auxiliary field configurations produced by quantum Monte Carlo simulations of the Hubbard model can correctly predict the magnetic phase diagram of the model at the average density of one (half filling. We then use the network, trained at half filling, to explore the trend in the transition temperature as the system is doped away from half filling. This transfer learning approach predicts that the instability to the magnetic phase extends to at least 5% doping in this region. Our results pave the way for other machine learning applications in correlated quantum many-body systems.

  12. Correlated electrons in quantum matter

    CERN Document Server

    Fulde, Peter

    2012-01-01

    An understanding of the effects of electronic correlations in quantum systems is one of the most challenging problems in physics, partly due to the relevance in modern high technology. Yet there exist hardly any books on the subject which try to give a comprehensive overview on the field covering insulators, semiconductors, as well as metals. The present book tries to fill that gap. It intends to provide graduate students and researchers a comprehensive survey of electron correlations, weak and strong, in insulators, semiconductors and metals. This topic is a central one in condensed matter and beyond that in theoretical physics. The reader will have a better understanding of the great progress which has been made in the field over the past few decades.

  13. Nonlinear Electron Waves in Strongly Magnetized Plasmas

    DEFF Research Database (Denmark)

    Pécseli, Hans; Juul Rasmussen, Jens

    1980-01-01

    Weakly nonlinear dispersive electron waves in strongly magnetized plasma are considered. A modified nonlinear Schrodinger equation is derived taking into account the effect of particles resonating with the group velocity of the waves (nonlinear Landau damping). The possibility of including the ion...

  14. Strongly correlated superconductivity and quantum criticality

    Science.gov (United States)

    Tremblay, A.-M. S.

    Doped Mott insulators and doped charge-transfer insulators describe classes of materials that can exhibit unconventional superconducting ground states. Examples include the cuprates and the layered organic superconductors of the BEDT family. I present results obtained from plaquette cellular dynamical mean-field theory. Continuous-time quantum Monte Carlo evaluation of the hybridization expansion allows one to study the models in the large interaction limit where quasiparticles can disappear. The normal state which is unstable to the superconducting state exhibits a first-order transition between a pseudogap and a correlated metal phase. That transition is the finite-doping extension of the metal-insulator transition obtained at half-filling. This transition serves as an organizing principle for the normal and superconducting states of both cuprates and doped organic superconductors. In the less strongly correlated limit, these methods also describe the more conventional case where the superconducting dome surrounds an antiferromagnetic quantum critical point. Sponsored by NSERC RGPIN-2014-04584, CIFAR, Research Chair in the Theory of Quantum Materials.

  15. Time-Integral Correlations of Multiple Variables With the Relativistic-Electron Flux at Geosynchronous Orbit: The Strong Roles of Substorm-Injected Electrons and the Ion Plasma Sheet

    Science.gov (United States)

    Borovsky, Joseph E.

    2017-12-01

    Time-integral correlations are examined between the geosynchronous relativistic electron flux index Fe1.2 and 31 variables of the solar wind and magnetosphere. An "evolutionary algorithm" is used to maximize correlations. Time integrations (into the past) of the variables are found to be superior to time-lagged variables for maximizing correlations with the radiation belt. Physical arguments are given as to why. Dominant correlations are found for the substorm-injected electron flux at geosynchronous orbit and for the pressure of the ion plasma sheet. Different sets of variables are constructed and correlated with Fe1.2: some sets maximize the correlations, and some sets are based on purely solar wind variables. Examining known physical mechanisms that act on the radiation belt, sets of correlations are constructed (1) using magnetospheric variables that control those physical mechanisms and (2) using the solar wind variables that control those magnetospheric variables. Fe1.2-increasing intervals are correlated separately from Fe1.2-decreasing intervals, and the introduction of autoregression into the time-integral correlations is explored. A great impediment to discerning physical cause and effect from the correlations is the fact that all solar wind variables are intercorrelated and carry much of the same information about the time sequence of the solar wind that drives the time sequence of the magnetosphere.

  16. Exact Kohn-Sham potential of strongly correlated finite systems

    International Nuclear Information System (INIS)

    Helbig, N.; Tokatly, I. V.; Rubio, A.

    2009-01-01

    The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem led to a discussion of properties that the local Kohn-Sham potential has to satisfy in order to correctly describe strongly correlated systems. We derive an analytic expression for the nontrivial form of the Kohn-Sham potential in between the two fragments for the dissociation of a single bond. We show that the numerical calculations for a one-dimensional two-electron model system indeed approach and reach this limit. It is shown that the functional form of the potential is universal, i.e., independent of the details of the two fragments.

  17. Electronic structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ including strong correlation effects

    Energy Technology Data Exchange (ETDEWEB)

    Costa-Quintana, J.; Lopez-Aguilar, F.; Balle, S.; Salvador, R.

    1989-05-01

    The occupied and unoccupied valence-band density of states of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ is determined considering a coherent potential which includes the Coulomb intrasite d-d correlation. The p states tend to be all occupied and, as a consequence, the most localized d states with the XZ symmetry tend to be unoccupied giving rise to an upper Hubbard band. This picture is in good agreement with the direct and inverse photoemission spectroscopies.

  18. Ultrafast dynamics of correlated electrons

    Energy Technology Data Exchange (ETDEWEB)

    Rettig, Laurenz

    2012-07-09

    This work investigates the ultrafast electron dynamics in correlated, low-dimensional model systems using femtosecond time- and angle-resolved photoemission spectroscopy (trARPES) directly in the time domain. In such materials, the strong electron-electron (e-e) correlations or coupling to other degrees of freedom such as phonons within the complex many-body quantum system lead to new, emergent properties that are characterized by phase transitions into broken-symmetry ground states such as magnetic, superconducting or charge density wave (CDW) phases. The dynamical processes related to order like transient phase changes, collective excitations or the energy relaxation within the system allow deeper insight into the complex physics governing the emergence of the broken-symmetry state. In this work, several model systems for broken-symmetry ground states and for the dynamical charge balance at interfaces have been studied. In the quantum well state (QWS) model system Pb/Si(111), the charge transfer across the Pb/Si interface leads to an ultrafast energetic stabilization of occupied QWSs, which is the result of an increase of the electronic confinement to the metal film. In addition, a coherently excited surface phonon mode is observed. In antiferromagnetic (AFM) Fe pnictide compounds, a strong momentum-dependent asymmetry of electron and hole relaxation rates allows to separate the recovery dynamics of the AFM phase from electron-phonon (e-ph) relaxation. The strong modulation of the chemical potential by coherent phonon modes demonstrates the importance of e-ph coupling in these materials. However, the average e-ph coupling constant is found to be small. The investigation of the excited quasiparticle (QP) relaxation dynamics in the high-T{sub c}4 superconductor Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ} reveals a striking momentum and fluence independence of the QP life times. In combination with the momentum-dependent density of excited QPs, this demonstrates the

  19. Theory and simulation of strong correlations in quantum Coulomb systems

    Science.gov (United States)

    Bonitz, M.; Semkat, D.; Filinov, A.; Golubnychyi, V.; Kremp, D.; Gericke, D. O.; Murillo, M. S.; Filinov, V.; Fortov, V.; Hoyer, W.; Koch, S. W.

    2003-06-01

    Strong correlations in quantum Coulomb systems (QCS) are attracting increasing interest in many fields ranging from dense plasmas and semiconductors to metal clusters and ultracold trapped ions. Examples are bound states in dense plasmas (atoms, molecules, clusters) and semiconductors (excitons, trions, biexcitons) or Coulomb crystals. We present first-principle simulation results of these systems including path integral Monte Carlo simulations of the equilibrium behaviour of dense hydrogen and electron-hole plasmas and molecular dynamics and quantum kinetic theory simulations of the nonequilibrium properties of QCS. Finally, we critically assess potential and limitations of the various methods in their application to Coulomb systems.

  20. Inhomogeneities in a strongly correlated d-wave superconductors in the limit of strong disorder

    Science.gov (United States)

    Chakraborty, Debmalya; Sensarma, Rajdeep; Ghosal, Amit

    2015-03-01

    The complex interplay of the strong correlations and impurities in a high temperature superconductor is analyzed within a Hartree-Fock-Bogoliubov theory, augmented with Gutzwiller approximation for taking care of the strong electronic repulsion. The inclusion of such correlations is found to play a crucial role in reducing inhomogeneities in both qualitative and quantitative manner. This difference is comprehended by investigating the underlying one-particle ``normal states'' that includes the order parameters in the Hartree and Fock channels in the absence of superconductivity. This amounts to the renormalization of disorder both on the lattice sites and also on links. These two components of disorder turn out to be spatially anti-correlated through self-consistency. Interestingly, a simple pairing theory in terms of these normal states is found to describe the complex behaviors of dirty cuprates with reasonable accuracy. However, this framework needs modifications in the limit where disorder strengths are comparable to the band width. We will discuss appropriate updates in the formalism to describe physics of inhomogeneities with strong disorder.

  1. Analysis of electron-correlation effects in strongly correlated systems (N2 and N2+ ) by applying the density-matrix renormalization-group method and quantum information theory

    Science.gov (United States)

    Stemmle, Christian; Paulus, Beate; Legeza, Örs

    2018-02-01

    The dissociation of N2 and N2 + has been studied by using the ab initio density-matrix renormalization-group (DMRG) method. Accurate potential energy surfaces (PESs) have been obtained for the electronic ground states of N2 (X1 Σg+ ) and N2+ (X2 Σg+ ) as well as for the N2+ excited state B2 Σu+ . Inherent to the DMRG approach, the eigenvalues of the reduced density matrix (ρ ) and their correlation functions are at hand. Thus we can apply quantum information theory directly and investigate how the wave function changes along the PES and depict differences between the different states. Moreover, by characterizing quantum entanglement between different pairs of orbitals and analyzing the reduced density matrix, we achieved a better understanding of the multireference character featured by these systems.

  2. Fulleride Superconductors are Phonon-Driven and Strongly Correlated

    Science.gov (United States)

    Tosatti, Erio; Capone, Massimo; Castellani, Claudio; Fabrizio, Michele

    2010-03-01

    Superconductivity in trivalent alkali fullerides is believed to be phonon-driven and s-wave, similar in that to ordinary BCS systems. There is nonetheless in these materials a metal-Mott insulator transition upon lattice expansion, indicating exceedingly strong electron-electron correlations. Using Dynamical Mean Field Theory we solved a 3-band Hubbard model, including both electron-electron and (simplified) electron-phonon interactions, which yields a phase diagram [1] in striking agreement with the experimental one for the recently discovered expanded fulleride Cs3C60 as a function of pressure.[2] A dome-shaped superconducting order parameter, a pseudogap phase, and the subsequent Mott transition upon expansion thus assimilate the phonon driven fulleride superconductors to cuprates and to 2D organics, despite their obvious differences. Some experimental predictions are made, including a kinetic energy gain and a Drude weight increase in the superconducting state relative to the normal state, contrary to BCS, but similar to cuprates. [1] M. Capone, et al., Rev. Mod. Phys. 81,943 (2009); [2] Y. Takabayashi et al., Science 323, 1585 (2009).

  3. Kondo memory in driven strongly correlated quantum dots.

    Science.gov (United States)

    Zheng, Xiao; Yan, YiJing; Di Ventra, Massimiliano

    2013-08-23

    We investigate the real-time current response of strongly correlated quantum dot systems under sinusoidal driving voltages. By means of an accurate hierarchical equations of motion approach, we demonstrate the presence of prominent memory effects induced by the Kondo resonance on the real-time current response. These memory effects appear as distinctive hysteresis line shapes and self-crossing features in the dynamic current-voltage characteristics, with concomitant excitation of odd-number overtones. They emerge as a cooperative effect of quantum coherence-due to inductive behavior-and electron correlations-due to the Kondo resonance. We also show the suppression of memory effects and the transition to classical behavior as a function of temperature. All these phenomena can be observed in experiments and may lead to novel quantum memory applications.

  4. Weak-coupling superconductivity in a strongly correlated iron pnictide.

    Science.gov (United States)

    Charnukha, A; Post, K W; Thirupathaiah, S; Pröpper, D; Wurmehl, S; Roslova, M; Morozov, I; Büchner, B; Yaresko, A N; Boris, A V; Borisenko, S V; Basov, D N

    2016-01-05

    Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Γ point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

  5. Imaginary-time formulation of strongly correlated nonequilibrium

    Science.gov (United States)

    Heary, Ryan Joseph

    Strongly correlated nanostructures and lattices of electrons are studied when these systems reside in a steady-state nonequilibrium. Much of the work done to date has made use of the nonequilibrium real-time Keldysh Green function technique. These methods include: the Keldysh Green function perturbation theory, time-dependent numerical renormalization group, density matrix renormalization group, and diagrammatic quantum Monte Carlo. In the special case of steady-state nonequilibrium we construct an imaginary-time theory. The motivation to do this is simple: there exist an abundant number of well-established strongly correlated computational solvers for imaginary-time theory and perturbation theory on the imaginary-time contour is much more straightforward than that of the real-time contour. The first model system we focus on is a strongly interacting quantum dot situated between source and drain electron reservoirs. The steady-state nonequilibrium boundary condition is established by applying a voltage bias phi across the reservoirs, in turn modifying the chemical potentials of the leads. For a symmetric voltage drop we have mu source = phi/2 and mudrain = -phi/2. The dynamics of the electrons are governed by the Hamiltonian Ĥ which is inherently independent of the imbalance in the source and drain chemical potentials. The statistics though are determined by the operator Ĥ-Ŷ , where Ŷ imposes the nonequilibrium boundary condition. We show that it is possible to construct a single effective Hamiltonian K̂ able to describe both the dynamics and statistics of the system. Upon formulating the theory we explicitly show that it is consistent with the real-time Keldysh theory both formally and through an example using perturbation theory. In these systems there exists a strong interplay between the interactions and nonequilibrium leading to novel nonperturbative phenomena. Therefore, we combine our theory with the Hirsch-Fye quantum Monte Carlo algorithm to study

  6. Description of the magnetic properties of strongly correlated disordered solid solutions in the coherent potential approximation

    Science.gov (United States)

    Korotin, M. A.; Skorikov, N. A.

    2015-06-01

    A method for electronic structure calculations of strongly correlated materials based on the coherent potential approximation is formulated and implemented. Method is applied for investigation of the electronic structure and local magnetic moments of the strongly correlated systems with d- and f-electrons: NiO-ZnO solid solution, nonstoichiometric perovskite LaMnO3-x, doped compound TiO2:Fe, and rare-earth transition-metal intermetallic compound GdNi2:Mn.

  7. Doubly excited helium. From strong correlation to chaos

    International Nuclear Information System (INIS)

    Jiang, Yuhai

    2006-03-01

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I 15 , and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I 5 to I 9 and I 7 , respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I 4 were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I 4 by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  8. Doubly excited helium. From strong correlation to chaos

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yuhai

    2006-03-15

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I{sub 15}, and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I{sub 5} to I{sub 9} and I{sub 7}, respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I{sub 4} were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I{sub 4} by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  9. Pair correlation functions of strongly coupled two-temperature plasma

    Science.gov (United States)

    Shaffer, Nathaniel R.; Tiwari, Sanat Kumar; Baalrud, Scott D.

    2017-09-01

    Using molecular dynamics simulations, we perform the first direct tests of three proposed models for the pair correlation functions of strongly coupled plasmas with species of unequal temperature. The models are all extensions of the Ornstein-Zernike/hypernetted-chain theory used to good success for equilibrium plasmas. Each theory is evaluated at several coupling strengths, temperature ratios, and mass ratios for a model plasma in which the electrons are positively charged. We show that the model proposed by Seuferling et al. [Phys. Rev. A 40, 323 (1989)] agrees well with molecular dynamics over a wide range of mass and temperature ratios, as well as over a range of coupling strength similar to that of the equilibrium hypernetted-chain (HNC) theory. The SVT model also correctly predicts the strength of interspecies correlations and exhibits physically reasonable long-wavelength limits of the static structure factors. Comparisons of the SVT model with the Yukawa one-component plasma (YOCP) model are used to show that ion-ion pair correlations are well described by the YOCP model up to Γe≈1 , beyond which it rapidly breaks down.

  10. New correlated electron physics from new materials

    International Nuclear Information System (INIS)

    Maple, M.B.; Baumbach, R.E.; Hamlin, J.J.; Zocco, D.A.; Taylor, B.J.; Butch, N.P.; Jeffries, J.R.; Weir, S.T.; Sales, B.C.; Mandrus, D.; McGuire, M.A.; Sefat, A.S.; Jin, R.; Vohra, Y.K.; Chu, J.-H.; Fisher, I.R.

    2009-01-01

    Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT 4 X 12 (M=alkali metal, alkaline earth, lanthanide, or actinide; T=Fe, Ru, or Os; X=P, As, or Sb), certain lanthanide and actinide intermetallic compounds such as URu 2-x Re x Si 2 and CeTIn 5 (T=Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of pressure, and magnetic fields, resulting in rich and complex electronic phase diagrams in the hyperspace of temperature, chemical composition, pressure and magnetic field. It seems clear that this type of 'materials driven physics' will continue to play a central role in the development of the field of strongly correlated electron systems in the future, through the discovery of new materials that exhibit unexpected phenomena and experiments on known materials in an effort to optimize their physical properties and test relevant theories.

  11. Nonperturbative stochastic dynamics driven by strongly correlated colored noise

    Science.gov (United States)

    Jing, Jun; Li, Rui; You, J. Q.; Yu, Ting

    2015-02-01

    We propose a quantum model consisting of two remote qubits interacting with two correlated colored noises and establish an exact stochastic Schrödinger equation for this open quantum system. It is shown that the quantum dynamics of the qubit system is profoundly modulated by the mutual correlation between baths and the bath memory capability through dissipation and fluctuation. We report a physical effect on generating inner correlation and entanglement of two distant qubits arising from the strong bath-bath correlation.

  12. Joint statistics of strongly correlated neurons via dimensionality reduction

    Science.gov (United States)

    Deniz, Taşkın; Rotter, Stefan

    2017-06-01

    The relative timing of action potentials in neurons recorded from local cortical networks often shows a non-trivial dependence, which is then quantified by cross-correlation functions. Theoretical models emphasize that such spike train correlations are an inevitable consequence of two neurons being part of the same network and sharing some synaptic input. For non-linear neuron models, however, explicit correlation functions are difficult to compute analytically, and perturbative methods work only for weak shared input. In order to treat strong correlations, we suggest here an alternative non-perturbative method. Specifically, we study the case of two leaky integrate-and-fire neurons with strong shared input. Correlation functions derived from simulated spike trains fit our theoretical predictions very accurately. Using our method, we computed the non-linear correlation transfer as well as correlation functions that are asymmetric due to inhomogeneous intrinsic parameters or unequal input.

  13. Electron Dynamics in Nanostructures in Strong Laser Fields

    Energy Technology Data Exchange (ETDEWEB)

    Kling, Matthias

    2014-09-11

    The goal of our research was to gain deeper insight into the collective electron dynamics in nanosystems in strong, ultrashort laser fields. The laser field strengths will be strong enough to extract and accelerate electrons from the nanoparticles and to transiently modify the materials electronic properties. We aimed to observe, with sub-cycle resolution reaching the attosecond time domain, how collective electronic excitations in nanoparticles are formed, how the strong field influences the optical and electrical properties of the nanomaterial, and how the excitations in the presence of strong fields decay.

  14. Nonlinear phononics and structural control of strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    Mankowsky, Roman

    2016-01-20

    Mid-infrared light pulses can be used to resonantly excite infrared-active vibrational modes for the phase control of strongly correlated materials on subpicosecond timescales. As the energy is transferred directly into atomic motions, dissipation into the electronic system is reduced, allowing for the emergence of unusual low energy collective properties. Light-induced superconductivity, insulator-metal transitions and melting of magnetic order demonstrate the potential of this method. An understanding of the mechanism, by which these transitions are driven, is however missing. The aim of this work is to uncover this process by investigating the nonlinear lattice dynamics induced by the excitation and to elucidate their contribution to the modulation of collective properties of strongly correlated materials. The first signature of nonlinear lattice dynamics was reported in the observation of coherent phonon oscillations, resonant with the excitation of an infrared-active phonon mode in a manganite. This nonlinear phononic coupling can be described within a model, which predicts not only oscillatory coherent phonons dynamics but also directional atomic displacements along the coupled modes on average, which could cause the previously observed transitions. We verified this directional response and quantified the anharmonic coupling constant by tracing the atomic motions in a time-resolved hard X-ray diffraction experiment with sub-picometer spatial and femtosecond temporal resolution. In a subsequent study, we investigated the role of nonlinear lattice dynamics in the emergence of superconductivity far above the equilibrium transition temperature, an intriguing effect found to follow lattice excitation of YBa{sub 2}Cu{sub 3}O{sub 6+x}. By combining density functional theory (DFT) calculations of the anharmonic coupling constants with time-resolved X-ray diffraction experiments, we identified a structural rearrangement, which appears and decays with the same temporal

  15. Thermodynamic prediction of glass formation tendency, cluster-in-jellium model for metallic glasses, ab initio tight-binding calculations, and new density functional theory development for systems with strong electron correlation

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yongxin [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    also plays an important role, as it may directly track the movement of every atom. Simulation time is a major limit for molecular dynamics, not only because of “slow” computer speed, but also because of the accumulation error in the numerical treatment of the motion equations. There is also a great concern about the reliability of the emperical potentials if using classical molecular dynamics. Ab initio methods based on density functional theory(DFT) do not have this problem, however, it suffers from small simulation cells and is more demanding computationally. When crystal phase is involved, size effect of the simulation cell is more pronounced since long-range elastic energy would be established. Simulation methods which are more efficient in computation but yet have similar reliability as the ab initio methods, like tight-binding method, are highly desirable. While the complexity of metallic glasses comes from the atomistic level, there is also a large field which deals with the complexity from electronic level. The only “ab initio” method applicable to solid state systems is density functional theory with local density approximation( LDA) or generalized gradient approximation(GGA) for the exchange-correlation energy. It is very successful for simple sp element, where it reaches an high accuracy for determining the surface reconstruction. However, there is a large class of materials with strong electron correlation, where DFT based on LDA or GGA fails in a fundamental way. An “ab initio” method which can generally apply to correlated materials, as LDA for simple sp element, is still to be developed. The thesis is prepared to address some of the above problems.

  16. Neutron Scattering and Its Application to Strongly Correlated Systems

    OpenAIRE

    Zaliznyak, Igor A.; Tranquada, John M.

    2013-01-01

    Neutron scattering is a powerful probe of strongly correlated systems. It can directly detect common phenomena such as magnetic order, and can be used to determine the coupling between magnetic moments through measurements of the spin-wave dispersions. In the absence of magnetic order, one can detect diffuse scattering and dynamic correlations. Neutrons are also sensitive to the arrangement of atoms in a solid (crystal structure) and lattice dynamics (phonons). In this chapter, we provide an ...

  17. Strong pressure-energy correlations in van der Waals liquids

    DEFF Research Database (Denmark)

    Pedersen, Ulf Rørbæk; Bailey, Nicholas; Schrøder, Thomas

    2008-01-01

    in the crystal and glass phases reflect an effective inverse power-law repulsive potential dominating fluctuations, even at zero and slightly negative pressure. In experimental data for supercritical argon, the correlations are found to be approximately 96%. Consequences for viscous liquid dynamics are discussed.......Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in computer simulations of the Lennard-Jones liquid and other simple liquids, but not for hydrogen-bonding liquids such as methanol and water. The correlations that are present also...

  18. Reduced larval feeding rate is a strong evolutionary correlate of ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Genetics; Volume 85; Issue 3. Reduced larval feeding rate is a strong evolutionary correlate of rapid development in Drosophila melanogaster. M. Rajamani N. Raghavendra ... Keywords. life-history evolution; development time; larval feeding rate; competition; tradeoffs; Drosophila melanogaster.

  19. Mismeasurement and the resonance of strong confounders: correlated errors.

    Science.gov (United States)

    Marshall, J R; Hastrup, J L; Ross, J S

    1999-07-01

    Confounding in epidemiology, and the limits of standard methods of control for an imperfectly measured confounder, have been understood for some time. However, most treatments of this problem are based on the assumption that errors of measurement in confounding and confounded variables are independent. This paper considers the situation in which a strong risk factor (confounder) and an inconsequential but suspected risk factor (confounded) are each measured with errors that are correlated; the situation appears especially likely to occur in the field of nutritional epidemiology. Error correlation appears to add little to measurement error as a source of bias in estimating the impact of a strong risk factor: it can add to, diminish, or reverse the bias induced by measurement error in estimating the impact of the inconsequential risk factor. Correlation of measurement errors can add to the difficulty involved in evaluating structures in which confounding and measurement error are present. In its presence, observed correlations among risk factors can be greater than, less than, or even opposite to the true correlations. Interpretation of multivariate epidemiologic structures in which confounding is likely requires evaluation of measurement error structures, including correlations among measurement errors.

  20. Rydberg-atom formation in strongly correlated ultracold plasmas

    International Nuclear Information System (INIS)

    Bannasch, G.; Pohl, T.

    2011-01-01

    In plasmas at very low temperatures, the formation of neutral atoms is dominated by collisional three-body recombination, owing to the strong ∼T -9/2 scaling of the corresponding recombination rate with the electron temperature T. While this law is well established at high temperatures, the unphysical divergence as T→0 clearly suggests a breakdown in the low-temperature regime. Here, we present a combined molecular dynamics Monte Carlo study of electron-ion recombination over a wide range of temperatures and densities. Our results reproduce the known behavior of the recombination rate at high temperatures, but reveal significant deviations with decreasing temperature. We discuss the fate of the kinetic bottleneck and resolve the divergence problem as the plasma enters the ultracold, strongly coupled domain.

  1. Towards a large deviation theory for strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz, Guiomar, E-mail: guiomar.ruiz@upm.es [Centro Brasileiro de Pesquisas Fisicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ (Brazil); Departamento de Matemática Aplicada y Estadística, Universidad Politécnica de Madrid, Pza. Cardenal Cisneros s.n., 28040 Madrid (Spain); Tsallis, Constantino, E-mail: tsallis@cbpf.br [Centro Brasileiro de Pesquisas Fisicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ (Brazil); Santa Fe Institute, 1399 Hyde Park Road, Santa Fe, NM 87501 (United States)

    2012-07-23

    A large-deviation connection of statistical mechanics is provided by N independent binary variables, the (N→∞) limit yielding Gaussian distributions. The probability of n≠N/2 out of N throws is governed by e{sup −Nr}, r related to the entropy. Large deviations for a strong correlated model characterized by indices (Q,γ) are studied, the (N→∞) limit yielding Q-Gaussians (Q→1 recovers a Gaussian). Its large deviations are governed by e{sub q}{sup −Nr{sub q}} (∝1/N{sup 1/(q−1)}, q>1), q=(Q−1)/(γ[3−Q])+1. This illustration opens the door towards a large-deviation foundation of nonextensive statistical mechanics. -- Highlights: ► We introduce the formalism of relative entropy for a single random binary variable and its q-generalization. ► We study a model of N strongly correlated binary random variables and their large-deviation probabilities. ► Large-deviation probability of strongly correlated model exhibits a q-exponential decay whose argument is proportional to N, as extensivity requires. ► Our results point to a q-generalized large deviation theory and suggest a large-deviation foundation of nonextensive statistical mechanics.

  2. Observations of strong ion-ion correlations in dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ma, T.; Fletcher, L.; Pak, A.; Chapman, D. A.; Falcone, R. W.; Fortmann, C.; Galtier, E.; Gericke, D. O.; Gregori, G.; Hastings, J.; Landen, O. L.; Le Pape, S.; Lee, H. J.; Nagler, B.; Neumayer, P.; Turnbull, D.; Vorberger, J.; White, T. G.; Wünsch, K.; Zastrau, U.; Glenzer, S. H.; Döppner, T.

    2014-05-01

    Using simultaneous spectrally, angularly, and temporally resolved x-ray scattering, we measure the pronounced ion-ion correlation peak in a strongly coupled plasma. Laser-driven shock-compressed aluminum at ~3× solid density is probed with high-energy photons at 17.9 keV created by molybdenum He-α emission in a laser-driven plasma source. The measured elastic scattering feature shows a well-pronounced correlation peak at a wave vector of k=4k=4Å-1. The magnitude of this correlation peak cannot be described by standard plasma theories employing a linear screened Coulomb potential. Advanced models, including a strong short-range repulsion due to the inner structure of the aluminum ions are however in good agreement with the scattering data. These studies have demonstrated a new highly accurate diagnostic technique to directly measure the state of compression and the ion-ion correlations. We have since applied this new method in single-shot wave-number resolved S(k) measurements to characterize the physical properties of dense plasmas.

  3. Strong electron correlations in the normal state of the iron-based FeSe0.42Te0.58 superconductor observed by angle-resolved photoemission spectroscopy.

    Science.gov (United States)

    Tamai, A; Ganin, A Y; Rozbicki, E; Bacsa, J; Meevasana, W; King, P D C; Caffio, M; Schaub, R; Margadonna, S; Prassides, K; Rosseinsky, M J; Baumberger, F

    2010-03-05

    We investigate the normal state of the "11" iron-based superconductor FeSe0.42Te0.58 by angle-resolved photoemission. Our data reveal a highly renormalized quasiparticle dispersion characteristic of a strongly correlated metal. We find sheet dependent effective carrier masses between approximately 3 and 16m{e} corresponding to a mass enhancement over band structure values of m{*}/m{band} approximately 6-20. This is nearly an order of magnitude higher than the renormalization reported previously for iron-arsenide superconductors of the "1111" and "122" families but fully consistent with the bulk specific heat.

  4. Study of rare earth local moment magnetism and strongly correlated phenomena in various crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Tai [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    Benefiting from unique properties of 4f electrons, rare earth based compounds are known for offering a versatile playground for condensed matter physics research as well as industrial applications. This thesis focuses on three specific examples that further explore the rare earth local moment magnetism and strongly correlated phenomena in various crystal structures.

  5. Atomic and free electrons in a strong light field

    CERN Document Server

    Fedorov, Mikhail V

    1997-01-01

    This book presents and describes a series of unusual and striking strong-field phenomena concerning atoms and free electrons. Some of these phenomena are: multiphoton stimulated bremsstrahlung, free-electron lasers, wave-packet physics, above-threshold ionization, and strong-field stabilization in Rydberg atoms. The theoretical foundations and causes of the phenomena are described in detail, with all the approximations and derivations discussed. All the known and relevant experiments are described too, and their results are compared with those of the existing theoretical models.An extensive ge

  6. Radiative electron-atom collision in a strong laser field

    International Nuclear Information System (INIS)

    Faisal, F.H.M.

    1984-01-01

    The comment is concerned with certain current problems and prospects in the theory of electron-atom collision in a strong radiation field. High energy off-shell electron-photon excitation of atoms; low-energy e-atom radiative scattering; steady state input distribution; typical distribution; low energy phenomena; and extensions of the close coupling and the algebraic methods, are all discussed. (U.K.)

  7. Quantum simulation of strongly correlated condensed matter systems

    Science.gov (United States)

    Hofstetter, W.; Qin, T.

    2018-04-01

    We review recent experimental and theoretical progress in realizing and simulating many-body phases of ultracold atoms in optical lattices, which gives access to analog quantum simulations of fundamental model Hamiltonians for strongly correlated condensed matter systems, such as the Hubbard model. After a general introduction to quantum gases in optical lattices, their preparation and cooling, and measurement techniques for relevant observables, we focus on several examples, where quantum simulations of this type have been performed successfully during the past years: Mott-insulator states, itinerant quantum magnetism, disorder-induced localization and its interplay with interactions, and topological quantum states in synthetic gauge fields.

  8. Strongly correlated Fermi-Bose mixtures in disordered optical lattices

    International Nuclear Information System (INIS)

    Sanchez-Palencia, L; Ahufinger, V; Kantian, A; Zakrzewski, J; Sanpera, A; Lewenstein, M

    2006-01-01

    We investigate theoretically the low-temperature physics of a two-component ultracold mixture of bosons and fermions in disordered optical lattices. We focus on the strongly correlated regime. We show that, under specific conditions, composite fermions, made of one fermion plus one bosonic hole, form. The composite picture is used to derive an effective Hamiltonian whose parameters can be controlled via the boson-boson and the boson-fermion interactions, the tunnelling terms and the inhomogeneities. We finally investigate the quantum phase diagram of the composite fermions and show that it corresponds to the formation of Fermi glasses, spin glasses and quantum percolation regimes

  9. Strongly correlated Fermi-Bose mixtures in disordered optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Palencia, L [Laboratoire Charles Fabry de l' Institut d' Optique, CNRS and Universite Paris-Sud XI, Bat 503, Centre scientifique, F-91403 Orsay Cedex (France); Ahufinger, V [ICREA and Grup d' optica, Departament de FIsica, Universitat Autonoma de Barcelona, E-08193 Belaterra (Barcelona) (Spain); Kantian, A [Institut fuer Theoretische Physik, Universitaet Innsbruck, A-6020 Innsbruck (Austria); Zakrzewski, J [Instytut Fizyki imienia Mariana Smoluchowskiego i Centrum Badan Ukladow Zlozonych imienia Marka Kaca, Uniwersytet Jagiellonski, ulica Reymonta 4, PL-30-059 Krakow (Poland); Sanpera, A [ICREA and Grup de FIsica Teorica, Departament de FIsica, Universitat Autonoma de Barcelona, E-08193 Belaterra (Barcelona) (Spain); Lewenstein, M [ICREA and ICFO-Institut de Ciencies Fotoniques, Parc Mediterrani de la TecnologIa, E-08860 Castelldefels (Barcelona) (Spain); Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover (Germany)

    2006-05-28

    We investigate theoretically the low-temperature physics of a two-component ultracold mixture of bosons and fermions in disordered optical lattices. We focus on the strongly correlated regime. We show that, under specific conditions, composite fermions, made of one fermion plus one bosonic hole, form. The composite picture is used to derive an effective Hamiltonian whose parameters can be controlled via the boson-boson and the boson-fermion interactions, the tunnelling terms and the inhomogeneities. We finally investigate the quantum phase diagram of the composite fermions and show that it corresponds to the formation of Fermi glasses, spin glasses and quantum percolation regimes.

  10. Spin effects in strong-field laser-electron interactions

    International Nuclear Information System (INIS)

    Ahrens, S; Bauke, H; Müller, T-O; Villalba-Chávez, S; Müller, C

    2013-01-01

    The electron spin degree of freedom can play a significant role in relativistic scattering processes involving intense laser fields. In this contribution we discuss the influence of the electron spin on (i) Kapitza-Dirac scattering in an x-ray laser field of high intensity, (ii) photo-induced electron-positron pair production in a strong laser wave and (iii) multiphoton electron-positron pair production on an atomic nucleus. We show that in all cases under consideration the electron spin can have a characteristic impact on the process properties and their total probabilities. To this end, spin-resolved calculations based on the Dirac equation in the presence of an intense laser field are performed. The predictions from Dirac theory are also compared with the corresponding results from the Klein-Gordon equation.

  11. Electron with orbital angular momentum in a strong laser wave

    Science.gov (United States)

    Karlovets, Dmitry V.

    2012-12-01

    Electrons carrying orbital angular momentum (OAM) have recently been discovered theoretically and obtained experimentally, which opens up possibilities for using them in high-energy physics. We consider such a twisted electron moving in the external field of a plane electromagnetic wave and study how this field influences the electron's OAM. Being motivated by the development of high-power lasers, we focus our attention on a classically strong-field regime for which -e2A2¯/(me2c4)≳1. It is shown that, along with the well-known “plane-wave” Volkov solution, the Dirac equation also has the “non-plane-wave” solutions, which possess OAM and spin-orbit coupling and generalize the free-electron's Bessel states. Motion of an electron with OAM in a circularly polarized laser wave reveals a twofold character: the wave-packet center moves along a classical helical trajectory with some quantum transverse broadening (due to OAM) existing even for a free electron. Using the twisted states, we calculate the electron's total angular momentum and predict its shift in the strong-field regime, which is analogous to the well-known shifts of the electron's momentum and mass (and to a less-known shift of its spin) in intense fields. Since the electron's effective angular momentum is conserved in a plane wave, as well as in some more general field configurations, we discuss several possibilities for accelerating nonrelativistic twisted electrons by using focused and combined electromagnetic fields.

  12. Attosecond Electron Wave Packet Dynamics in Strong Laser Fields

    International Nuclear Information System (INIS)

    Johnsson, P.; Remetter, T.; Varju, K.; L'Huillier, A.; Lopez-Martens, R.; Valentin, C.; Balcou, Ph.; Kazamias, S.; Mauritsson, J.; Gaarde, M. B.; Schafer, K. J.; Mairesse, Y.; Wabnitz, H.; Salieres, P.

    2005-01-01

    We use a train of sub-200 attosecond extreme ultraviolet (XUV) pulses with energies just above the ionization threshold in argon to create a train of temporally localized electron wave packets. We study the energy transfer from a strong infrared (IR) laser field to the ionized electrons as a function of the delay between the XUV and IR fields. When the wave packets are born at the zero crossings of the IR field, a significant amount of energy (∼20 eV) is transferred from the field to the electrons. This results in dramatically enhanced above-threshold ionization in conditions where the IR field alone does not induce any significant ionization. Because both the energy and duration of the wave packets can be varied independently of the IR laser, they are valuable tools for studying and controlling strong-field processes

  13. Atomic and Free Electrons in a Strong Light Field

    International Nuclear Information System (INIS)

    Fedorov, Mikhail V.

    1998-02-01

    This book presents and describes a series of unusual and striking strong-field phenomena concerning atoms and free electrons. Some of these phenomena are: multiphoton stimulated Bremsstrahlung, free-electron lasers, ave-packet physics, above-threshold ionization, and strong-field stabilization in Rydberg atoms. The theoretical foundations and causes of the phenomena are described in detail, with all the approximations and derivations discussed. All the known and relevant experiments are described oo, and their results are compared with those of the existing theoretical models. An extensive general theoretical introduction gives a good basis for subsequent parts of the book and is an independent and self-sufficient description of the most efficient theoretical methods of the strong-field and multiphoton physics. This book can serve as a textbook for graduate students

  14. Strongly-correlated ultracold atoms in optical lattices

    International Nuclear Information System (INIS)

    Dao, Tung-Lam

    2008-01-01

    This thesis is concerned with the theoretical study of strongly correlated quantum states of ultra-cold fermionic atoms trapped in optical lattices. This field has grown considerably in recent years, following the experimental progress made in cooling and controlling atomic gases, which has led to the observation of the first Bose-Einstein condensation (in 1995). The trapping of these gases in optical lattices has opened a new field of research at the interface between atomic physics and condensed matter physics. The observation of the transition from a superfluid to a Mott insulator for bosonic atoms paved the way for the study of strongly correlated phases and quantum phase transitions in these systems. Very recently, the investigation of the Mott insulator state of fermionic atoms provides additional motivation to conduct such theoretical studies. This thesis can be divided broadly into two types of work: - On the one hand, we have proposed a new type of spectroscopy to measure single-particle correlators and associated physical observables in these strongly correlated states. - On the other hand, we have studied the ground state of the fermionic Hubbard model under different conditions (mass imbalance, population imbalance) by using analytical techniques and numerical simulations. In a collaboration with J. Dalibard and C. Salomon (LKB at the ENS Paris) and I. Carusotto (Trento, Italy), we have proposed and studied a novel spectroscopic method for the measurement and characterization of single particle excitations (in particular, the low energy excitations, namely the quasiparticles) in systems of cold fermionic atoms, with energy and momentum resolution. This type of spectroscopy is an analogue of angular-resolved photoemission in solid state physics (ARPES). We have shown, via simple models, that this method of measurement can characterize quasiparticles not only in the 'conventional' phases such as the weakly interacting gas in the lattice or in Fermi

  15. Correlated Fluctuations in Strongly Coupled Binary Networks Beyond Equilibrium

    Directory of Open Access Journals (Sweden)

    David Dahmen

    2016-08-01

    Full Text Available Randomly coupled Ising spins constitute the classical model of collective phenomena in disordered systems, with applications covering glassy magnetism and frustration, combinatorial optimization, protein folding, stock market dynamics, and social dynamics. The phase diagram of these systems is obtained in the thermodynamic limit by averaging over the quenched randomness of the couplings. However, many applications require the statistics of activity for a single realization of the possibly asymmetric couplings in finite-sized networks. Examples include reconstruction of couplings from the observed dynamics, representation of probability distributions for sampling-based inference, and learning in the central nervous system based on the dynamic and correlation-dependent modification of synaptic connections. The systematic cumulant expansion for kinetic binary (Ising threshold units with strong, random, and asymmetric couplings presented here goes beyond mean-field theory and is applicable outside thermodynamic equilibrium; a system of approximate nonlinear equations predicts average activities and pairwise covariances in quantitative agreement with full simulations down to hundreds of units. The linearized theory yields an expansion of the correlation and response functions in collective eigenmodes, leads to an efficient algorithm solving the inverse problem, and shows that correlations are invariant under scaling of the interaction strengths.

  16. Neutrino-electron processes in a strongly magnetized thermal plasma

    CERN Document Server

    Hardy, S J; Hardy, Stephen J.; Thoma, Markus H.

    2001-01-01

    We present a new method of calculating the rate of neutrino-electron interactions in a strong magnetic field based on finite temperature field theory. Using this method, in which the effect of the magnetic field on the electron states is taken into account exactly, we calculate the rates of all of the lowest order neutrino-electron interactions in a plasma. As an example of the use of this technique, we explicitly calculate the rate at which neutrinos and antineutrinos annihilate in a highly magnetized plasma, and compare that to the rate in an unmagnetized plasma. The most important channel for energy deposition is the gyromagnetic absorption of a neutrino-antineutrino pair on an electron or positron in the plasma ($\

  17. Lattice disorder in strongly correlated lanthanide and actinide intermetallics

    International Nuclear Information System (INIS)

    Booth, C.H.; Bauer, E.D.; Maple, M.B.; Lawrence, J.M.; Kwei, G.H.; Sarrao, J.L.

    2001-01-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu 4 and UPd x Cu 5-x systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu 4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd x Cu 5-x series. Nevertheless, the measured bond-length disorder in UPdCu 4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model. (au)

  18. Lattice disorder in strongly correlated lanthanide and actinide intermetallics.

    Science.gov (United States)

    Booth, C H; Bauer, E D; Maple, M B; Lawrence, J M; Kwei, G H; Sarrao, J L

    2001-03-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu4 and UPd(x)Cu(5-x) systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd(x)Cu(5-x) series. Nevertheless, the measured bond-length disorder in UPdCu4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model.

  19. Electron correlations in solid state physics

    International Nuclear Information System (INIS)

    Freericks, J.K.

    1991-04-01

    Exactly solvable models of electron correlations in solid state physics are presented. These models include the spinless Falicov- Kimball model, the t-t'-J model, and the Hubbard model. The spinless Falicov-Kimball model is analyzed in one-dimension. Perturbation theory and numerical techniques are employed to determine the phase diagram at zero temperature. A fractal structure is found where the ground-state changes (discontinuously) at each rational electron filling. The t-t'-J model (strongly interacting limit of a Hubbard model) is studied on eight-site small clusters in the simple-cubic, body-centered-cubic, face-centered-cubic, and square lattices. Symmetry is used to simplify the problem and determine the exact many-body wavefunctions. Ground states are found that exhibit magnetic order or heavy-fermionic character. Attempts to extrapolate to the thermodynamic limit are also made. The Hubbard model is examined on an eight-site square-lattice cluster in the presence of and in the absence of a ''magnetic field'' that couples only to orbital motion. A new magnetic phase is discovered for the ordinary Hubbard model at half-filling. In the ''magnetic field'' case, it is found that the strongly frustrated Heisenberg model may be studied from adiabatic continuation of a tight-binding model (from weak to strong coupling) at one point. The full symmetries of the Hamiltonian are utilized to make the exact diagonalization feasibile. Finally, the presence of ''hidden'' extra symmetry for finite size clusters with periodic boundary conditions is analyzed for a variety of clusters. Moderately sized systems allow nonrigid transformations that map a lattice onto itself preserving its neighbor structure; similar operations are not present in smaller or larger systems. The additional symmetry requires particular representations of the space group to stick together explaining many puzzling degeneracies found in exact diagonalization studies

  20. Strong field transient manipulation of electronic states and bands

    Directory of Open Access Journals (Sweden)

    I. Crassee

    2017-11-01

    Full Text Available In the present review, laser fields are so strong that they become part of the electronic potential, and sometimes even dominate the Coulomb contribution. This manipulation of atomic potentials and of the associated states and bands finds fascinating applications in gases and solids, both in the bulk and at the surface. We present some recent spectacular examples obtained within the NCCR MUST in Switzerland.

  1. Surface and Interface Physics of Correlated Electron Materials

    Energy Technology Data Exchange (ETDEWEB)

    Millis, Andrew [Columbia Univ., New York, NY (United States)

    2004-09-01

    The {\\it Surface and Interface Physics of Correlated Electron Materials} research program provided conceptual understanding of and theoretical methodologies for understanding the properties of surfaces and interfaces involving materials exhibiting strong electronic correlations. The issues addressed in this research program are important for basic science, because the behavior of correlated electron superlattices is a crucial challenge to and crucial test of our understanding of the grand-challenge problem of correlated electron physics and are important for our nation's energy future because correlated interfaces offer opportunities for the control of phenomena needed for energy and device applications. Results include new physics insights, development of new methods, and new predictions for materials properties.

  2. Strongly correlated quasi-one-dimensional bands: Ground states, optical absorption, and phonons

    International Nuclear Information System (INIS)

    Campbell, D.K.; Gammel, J.T.; Loh, E.Y. Jr.

    1989-01-01

    Using the Lanczos method for exact diagonalization on systems up to 14 sites, combined with a novel ''phase randomization'' technique for extracting more information from these small systems, we investigate several aspects of the one-dimensional Peierls-Hubbard Hamiltonian, in the context of trans-polyacetylene: the dependence of the ground state dimerization on the strength of the electron-electron interactions, including the effects of ''off-diagonal'' Coulomb terms generally ignored in the Hubbard model; the phonon vibrational frequencies and dispersion relations, and the optical absorption properties, including the spectrum of absorptions as a function of photon energy. These three different observables provide considerable insight into the effects of electron-electron interactions on the properties of real materials and thus into the nature of strongly correlated electron systems. 29 refs., 11 figs

  3. Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

    Science.gov (United States)

    Pernal, Katarzyna

    2018-01-01

    An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

  4. Selective Mottness as a key to iron superconductors: weak and strong correlations

    Science.gov (United States)

    de Medici, Luca

    2014-03-01

    I will discuss the strength of electronic correlations in the normal phase of Fe-superconductors and trace a comparison with cuprates. The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. Approaching it from large doping, a standard Fermi-liquid is seen to gradually turn into a bad non-Fermi liquid metal in which quasiparticles have heavily differentiated coherence depending on momentum, a process which culminates in the pseudogap regime, in which the antinodal region in momentum space acquires a gap before the material reaches a fully gapped Mott state. I will show that experiments for electron- and hole-doped BaFe2As2 support an analogous scenario. The doping evolution is dominated by the influence of a Mott insulator that would be realized for half-filled conduction bands, while the stoichiometric compound does not play a special role. Weakly and strongly correlated conduction electrons coexist in much of the phase diagram, a differentiation that increases with hole-doping. We identify the reason for this ``selective Mottness'' in a simple emergent mechanism, an ``orbital decoupling,'' triggered by the strong Hund's coupling. When this mechanism is active charge excitations in the different orbitals are decoupled and each orbital behaves as a single band Hubbard model, where the correlation degree almost only depends on how doped is each orbital from half-filling. This scenario reconciles contrasting evidences on the electronic correlation strength, implies a strong asymmetry between hole- and electron-doping and establishes a deep connection with the cuprates. L. de' Medici, G. Giovannetti and M. Capone, ArXiv:1212.3966 Work supported by CNRS - ESPCI ParisTech, France

  5. Disorder and pseudogap in strongly correlated systems: Phase diagram in the DMFT + Σ approach

    International Nuclear Information System (INIS)

    Kuleeva, N. A.; Kuchinskii, E. Z.

    2013-01-01

    The influence of disorder and pseudogap fluctuations on the Mott insulator-metal transition in strongly correlated systems has been studied in the framework of the generalized dynamic mean field theory (DMFT + Σ approach). Using the results of investigations of the density of states (DOS) and optical conductivity, a phase diagram (disorder-Hubbard interaction-temperature) is constructed for the paramagnetic Anderson-Hubbard model, which allows both the effects of strong electron correlations and the influence of strong disorder to be considered. Strong correlations are described using the DMFT, while a strong disorder is described using a generalized self-consistent theory of localization. The DOS and optical conductivity of the paramagnetic Hubbard model have been studied in a pseudogap state caused by antiferromagnetic spin (or charge) short-range order fluctuations with a finite correlation length, which have been modeled by a static Gaussian random field. The effect of a pseudogap on the Mott insulator-metal transition has been studied. It is established that, in both cases, the static Gaussian random field (related to the disorder or pseudogap fluctuations) leads to suppression of the Mott transition, broadening of the coexistence region of the insulator and metal phases, and an increase in the critical temperature at which the coexistence region disappears

  6. Electronic behavior of highly correlated metals

    International Nuclear Information System (INIS)

    Reich, A.

    1988-10-01

    This thesis addresses the question of the strongly interacting many-body problem: that is, systems where the interparticle correlations are so strong as to defy perturbative approaches. These subtle correlations occur in narrow band materials, such as the lanthanides and actinides, wherein the f-electrons are so localized that a variety of new phenomena, including intermediate-valence and heavy-fermionic behavior, may occur. As well, one has the alloying problem, where local interactions are paramount in determining the overall behavior. The technique employed in dealing with these systems is the Small Cluster method, wherein the full many-body Hamiltonian for a small grouping of atoms, coupled with periodic boundary conditions, is solved exactly. This is tantamount to solving a bulk crystal at the high points of symmetry in the Brillouin Zone. The mathematical overhead is further reduced by employing the full space group and spin symmetries. By its very nature, the Small Cluster method is well able to handle short-range interactions, as well as the combinatorial complexity of the many-body problem, on an equal footing. The nature of long-range order and phase transition behavior cannot be incorporated, but sometimes clues as to their origin can be discerned. The calculations presented include: a two-band Anderson model for an intermediate-valence system, wherein photoemission and fluctuation behavior is examined; a single-band Hubbard model for a ternary alloy system, such as copper-silver-gold; and a Hubbard model for a heavy- fermion system, wherein Fermi surface, transport, magnetic and superconducting properties are discussed. 148 refs., 31 figs., 24 tabs

  7. Theoretical development and first-principles analysis of strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chen [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    A variety of quantum many-body methods have been developed for studying the strongly correlated electron systems. We have also proposed a computationally efficient and accurate approach, named the correlation matrix renormalization (CMR) method, to address the challenges. The initial implementation of the CMR method is designed for molecules which have theoretical advantages, including small size of system, manifest mechanism and strongly correlation effect such as bond breaking process. The theoretic development and benchmark tests of the CMR method are included in this thesis. Meanwhile, ground state total energy is the most important property of electronic calculations. We also investigated an alternative approach to calculate the total energy, and extended this method for magnetic anisotropy energy (MAE) of ferromagnetic materials. In addition, another theoretical tool, dynamical mean- field theory (DMFT) on top of the DFT , has also been used in electronic structure calculations for an Iridium oxide to study the phase transition, which results from an interplay of the d electrons' internal degrees of freedom.

  8. Mott Transition In Strongly Correlated Materials: Many-Body Methods And Realistic Materials Simulations

    Science.gov (United States)

    Lee, Tsung-Han

    Strongly correlated materials are a class of materials that cannot be properly described by the Density Functional Theory (DFT), which is a single-particle approximation to the original many-body electronic Hamiltonian. These systems contain d or f orbital electrons, i.e., transition metals, actinides, and lanthanides compounds, for which the electron-electron interaction (correlation) effects are too strong to be described by the single-particle approximation of DFT. Therefore, complementary many-body methods have been developed, at the model Hamiltonians level, to describe these strong correlation effects. Dynamical Mean Field Theory (DMFT) and Rotationally Invariant Slave-Boson (RISB) approaches are two successful methods that can capture the correlation effects for a broad interaction strength. However, these many-body methods, as applied to model Hamiltonians, treat the electronic structure of realistic materials in a phenomenological fashion, which only allow to describe their properties qualitatively. Consequently, the combination of DFT and many body methods, e.g., Local Density Approximation augmented by RISB and DMFT (LDA+RISB and LDA+DMFT), have been recently proposed to combine the advantages of both methods into a quantitative tool to analyze strongly correlated systems. In this dissertation, we studied the possible improvements of these approaches, and tested their accuracy on realistic materials. This dissertation is separated into two parts. In the first part, we studied the extension of DMFT and RISB in three directions. First, we extended DMFT framework to investigate the behavior of the domain wall structure in metal-Mott insulator coexistence regime by studying the unstable solution describing the domain wall. We found that this solution, differing qualitatively from both the metallic and the insulating solutions, displays an insulating-like behavior in resistivity while carrying a weak metallic character in its electronic structure. Second, we

  9. Strongly Coupled Magnetic and Electronic Transitions in Multivalent Strontium Cobaltites.

    Science.gov (United States)

    Lee, J H; Choi, Woo Seok; Jeen, H; Lee, H-J; Seo, J H; Nam, J; Yeom, M S; Lee, H N

    2017-11-22

    The topotactic phase transition in SrCoO x (x = 2.5-3.0) makes it possible to reversibly transit between the two distinct phases, i.e. the brownmillerite SrCoO 2.5 that is a room-temperature antiferromagnetic insulator (AFM-I) and the perovskite SrCoO 3 that is a ferromagnetic metal (FM-M), owing to their multiple valence states. For the intermediate x values, the two distinct phases are expected to strongly compete with each other. With oxidation of SrCoO 2.5 , however, it has been conjectured that the magnetic transition is decoupled to the electronic phase transition, i.e., the AFM-to-FM transition occurs before the insulator-to-metal transition (IMT), which is still controversial. Here, we bridge the gap between the two-phase transitions by density-functional theory calculations combined with optical spectroscopy. We confirm that the IMT actually occurs concomitantly with the FM transition near the oxygen content x = 2.75. Strong charge-spin coupling drives the concurrent IMT and AFM-to-FM transition, which fosters the near room-T magnetic transition characteristic. Ultimately, our study demonstrates that SrCoO x is an intriguingly rare candidate for inducing coupled magnetic and electronic transition via fast and reversible redox reactions.

  10. Pairing correlations in electron-doped cuprates

    Science.gov (United States)

    Aligia, A. A.; Arrachea, Liliana

    2001-12-01

    We calculate on-site s, extended s and dx2-y2 pairing correlation functions in a generalized Hubbard model for the cuprates, for parameters appropriate for electron-doped systems, using numerical diagonalization of a 4×4 cluster. We find indications of d-wave superconductivity for small doping (~0.1 electrons per unit cell) and s-wave superconductivity for overdoped systems (~0.5 electrons per unit cell) or small U. The magnitude of the pairing correlation functions and the vertex contributions to them are in general much smaller than in the hole-doped case. We also present results for the spin-structure factor.

  11. Electron correlation energy in confined two-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, C.L. [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Montgomery, H.E., E-mail: ed.montgomery@centre.ed [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Sen, K.D. [School of Chemistry, University of Hyderabad, Hyderabad 500 046 (India); Thompson, D.C. [Chemistry Systems and High Performance Computing, Boehringer Ingelheim Pharamaceuticals Inc., 900 Ridgebury Road, Ridgefield, CT 06877 (United States)

    2010-09-27

    Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted Hartree-Fock and radial limit energies over a range of confinement radii from 0.05-10a{sub 0}. At small R, the correlation energies approach limiting values that are independent of Z while at intermediate R, systems with Z{>=}1 exhibit a characteristic maximum in the correlation energy resulting from an increase in the angular correlation energy which is offset by a decrease in the radial correlation energy.

  12. Correlations in a partially degenerate electron plasma

    Energy Technology Data Exchange (ETDEWEB)

    Chihara, Junzo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    The density-functional theory proves that an ion-electron mixture can be treated as a one-component liquid interacting only via a pairwise interaction in the evaluation of the ion-ion radial distribution function (RDF), and provides a set of integral equations: one is an integral equation for the ion-ion RDF and another for an effective ion-ion interaction, which depends on the ion-ion RDF. This formulation gives a set of integral equation to calculate plasma structures with combined use of the electron-electron correlations in a partially degenerate electron plasma. Therefore, it is important for this purpose to determine the electron-electron correlations at a arbitrary temperature. Here, they are calculated by the quantal version of the hypernetted chain (HNC) equation. On the basis of the jellium-vacancy model, the ionic and electronic structures of rubidium are calculated for the range from liquid metal to plasma states by increasing the temperature at the fixed density using the electron-correlation results. (author)

  13. Describing nonequilibrium behavior in strongly correlated materials via dynamical mean-field theory

    Science.gov (United States)

    Freericks, James

    2010-03-01

    Dynamical mean-field theory was introduced in 1989 and has become one of the most successful methods for solving models of strongly correlated electrons in equilibrium (it becomes exact in the infinite-dimensional limit). In this talk, I show how to generalize dynamical mean-field theory to nonequilibrium situations. For transient response, one discretizes the Kadanoff-Baym-Keldysh contour then solves the discrete problem directly. For steady-state response, one can formulate a theory directly in the long-time limit for the retarded Green's functions. These techniques are applied to the problem of the quenching of Bloch oscillations due to electron-electron interactions and to the problem of time-resolved pump/probe photoemission spectroscopy of strongly correlated electrons when a system is driven to a nonequilibrium steady state and cannot be described by the quasiequilibrium approximation with an effective temperature. This work was completed in collaboration with Tom Devereaux, Sasha Joura, Hulikal Krishnamurthy, Brian Moritz, Thomas Pruschke, Volodomyr Turkowski, and Velko Zlati'c. Recent references include: J. K. Freericks, V. M. Turkowski, and V. Zlati'c, Phys. Rev. Lett. 97, 266408 (2006); J. K. Freericks, Phys. Rev. B 77, 075109 (2008); A. V.Joura, J. K. Freericks, and Th. Pruschke, Phys. Rev. Lett. 101, 196401 (2008); J. K. Freericks, H. R. Krishnamurthy and Th. Pruschke, Phys. Rev. Lett. 102, 136401 (2009); and B. Moritz, T. P. Devereaux, and J. K. Freericks, arXiv:0908.1807.

  14. Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

    Science.gov (United States)

    2017-01-01

    Exact pieces of information on the adiabatic connection integrand, Wλ[ρ], which allows evaluation of the exchange-correlation energy of Kohn–Sham density functional theory, can be extracted from the leading terms in the strong coupling limit (λ → ∞, where λ is the strength of the electron–electron interaction). In this work, we first compare the theoretical prediction for the two leading terms in the strong coupling limit with data obtained via numerical implementation of the exact Levy functional in the simple case of two electrons confined in one dimension, confirming the asymptotic exactness of these two terms. We then carry out a first study on the incorporation of the Fermionic statistics at large coupling λ, both numerical and theoretical, confirming that spin effects enter at orders ∼e–√λ. PMID:29111724

  15. Reduced larval feeding rate is a strong evolutionary correlate of ...

    Indian Academy of Sciences (India)

    2001) was an arte- fact of extreme directional selection for rapid development that led to changes in the correlational structure of develop- ment time, larval feeding rate, dry weight at eclosion, and preadult survivorship. A positive genetic correlation between larval feeding rate and development time in the control pop-.

  16. Strong-coupling behaviour of two t - J chains with interchain single-electron hopping

    International Nuclear Information System (INIS)

    Zhang Guangming; Feng Shiping; Yu Lu.

    1994-01-01

    Using the fermion-spin transformation to implement spin-charge separation of constrained electrons, a model of two t - J chains with interchain single-electron hopping is studied by abelian bosonization. After spin-charge decoupling the charge dynamics can be trivially solved, while the spin dynamics is determined by a strong-coupling fixed point where the correlation functions can be calculated explicitly. This is a generalization of the Luther-Emery line for two-coupled t - J chains. The interchain single-electron hopping changes the asymptotic behaviour of the interchain spin-spin correlation functions and the electron Green function, but their exponents are independent of the coupling strength. (author). 25 refs

  17. Quantum Femtosecond Magnetism: Phase Transition in Step with Light in a Strongly Correlated Manganese Oxide

    Science.gov (United States)

    Wang, Jigang

    2014-03-01

    Research of non-equilibrium phase transitions of strongly correlated electrons is built around addressing an outstanding challenge: how to achieve ultrafast manipulation of competing magnetic/electronic phases and reveal thermodynamically hidden orders at highly non-thermal, femtosecond timescales? Recently we reveal a new paradigm called quantum femtosecond magnetism-photoinduced femtosecond magnetic phase transitions driven by quantum spin flip fluctuations correlated with laser-excited inter-atomic coherent bonding. We demonstrate an antiferromagnetic (AFM) to ferromagnetic (FM) switching during about 100 fs laser pulses in a colossal magneto-resistive manganese oxide. Our results show a huge photoinduced femtosecond spin generation, measured by magnetic circular dichroism, with photo-excitation threshold behavior absent in the picosecond dynamics. This reveals an initial quantum coherent regime of magnetism, while the optical polarization/coherence still interacts with the spins to initiate local FM correlations that compete with the surrounding AFM matrix. Our results thus provide a framework that explores quantum non-equilibrium kinetics to drive phase transitions between exotic ground states in strongly correlated elecrons, and raise fundamental questions regarding some accepted rules, such as free energy and adiabatic potential surface. This work is in collaboration with Tianqi Li, Aaron Patz, Leonidas Mouchliadis, Jiaqiang Yan, Thomas A. Lograsso, Ilias E. Perakis. This work was supported by the National Science Foundation (contract no. DMR-1055352). Material synthesis at the Ames Laboratory was supported by the US Department of Energy-Basic Energy Sciences (contract no. DE-AC02-7CH11358).

  18. Electron correlations in narrow energy bands: modified polar model approach

    Directory of Open Access Journals (Sweden)

    L. Didukh

    2008-09-01

    Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

  19. Density functional theory and dynamical mean-field theory. A way to model strongly correlated systems

    International Nuclear Information System (INIS)

    Backes, Steffen

    2017-04-01

    The study of the electronic properties of correlated systems is a very diverse field and has lead to valuable insight into the physics of real materials. In these systems, the decisive factor that governs the physical properties is the ratio between the electronic kinetic energy, which promotes delocalization over the lattice, and the Coulomb interaction, which instead favours localized electronic states. Due to this competition, correlated electronic systems can show unique and interesting properties like the Metal-Insulator transition, diverse phase diagrams, strong temperature dependence and in general a high sensitivity to the environmental conditions. A theoretical description of these systems is not an easy task, since perturbative approaches that do not preserve the competition between the kinetic and interaction terms can only be applied in special limiting cases. One of the most famous approaches to obtain the electronic properties of a real material is the ab initio density functional theory (DFT) method. It allows one to obtain the ground state density of the system under investigation by mapping onto an effective non-interacting system that has to be found self-consistently. While being an exact theory, in practical implementations certain approximations have to be made to the exchange-correlation potential. The local density approximation (LDA), which approximates the exchange-correlation contribution to the total energy by that of a homogeneous electron gas with the corresponding density, has proven quite successful in many cases. Though, this approximation in general leads to an underestimation of electronic correlations and is not able to describe a metal-insulator transition due to electronic localization in the presence of strong Coulomb interaction. A different approach to the interacting electronic problem is the dynamical mean-field theory (DMFT), which is non-perturbative in the kinetic and interaction term but neglects all non

  20. Density functional theory and dynamical mean-field theory. A way to model strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Backes, Steffen

    2017-04-15

    The study of the electronic properties of correlated systems is a very diverse field and has lead to valuable insight into the physics of real materials. In these systems, the decisive factor that governs the physical properties is the ratio between the electronic kinetic energy, which promotes delocalization over the lattice, and the Coulomb interaction, which instead favours localized electronic states. Due to this competition, correlated electronic systems can show unique and interesting properties like the Metal-Insulator transition, diverse phase diagrams, strong temperature dependence and in general a high sensitivity to the environmental conditions. A theoretical description of these systems is not an easy task, since perturbative approaches that do not preserve the competition between the kinetic and interaction terms can only be applied in special limiting cases. One of the most famous approaches to obtain the electronic properties of a real material is the ab initio density functional theory (DFT) method. It allows one to obtain the ground state density of the system under investigation by mapping onto an effective non-interacting system that has to be found self-consistently. While being an exact theory, in practical implementations certain approximations have to be made to the exchange-correlation potential. The local density approximation (LDA), which approximates the exchange-correlation contribution to the total energy by that of a homogeneous electron gas with the corresponding density, has proven quite successful in many cases. Though, this approximation in general leads to an underestimation of electronic correlations and is not able to describe a metal-insulator transition due to electronic localization in the presence of strong Coulomb interaction. A different approach to the interacting electronic problem is the dynamical mean-field theory (DMFT), which is non-perturbative in the kinetic and interaction term but neglects all non

  1. Electron correlation effects on magnetism in superconductors without inversion symmetry

    International Nuclear Information System (INIS)

    Fujimoto, Satoshi

    2007-01-01

    We investigate magnetic properties of superconductors without inversion symmetry with particular emphasis on the role played by electron correlation effects. It is found that the strong electron correlation seriously affects the temperature dependence of the spin susceptibility which consists of the Pauli term and the van-Vleck-like term, of which the existence is due to parity violating spin-orbit interaction. The implication of the results for the recent NMR measurement of the heavy fermion superconductor CePt 3 Si, which indicates the unchanged Knight shift below T c for any directions of a magnetic field, is presented

  2. Role of electronic correlations in Ga

    KAUST Repository

    Zhu, Zhiyong

    2011-06-13

    An extended around mean field (AMF) functional for less localized pelectrons is developed to quantify the influence of electronic correlations in α-Ga. Both the local density approximation (LDA) and generalized gradient approximation are known to mispredict the Ga positional parameters. The extended AMF functional together with an onsite Coulomb interaction of Ueff=1.1 eV, as obtained from constraint LDA calculations, reduces the deviations by about 20%. The symmetry lowering coming along with the electronic correlations turns out to be in line with the Ga phase diagram.

  3. Strong Country Level Correlation between Syphilis and HSV-2 Prevalence

    Directory of Open Access Journals (Sweden)

    Chris Richard Kenyon

    2016-01-01

    Full Text Available Background. Syphilis is curable but Herpes Simplex Virus-2 (HSV-2 is not. As a result, the prevalence of syphilis but not HSV-2 may be influenced by the efficacy of national STI screening and treatment capacity. If the prevalence of syphilis and HSV-2 is found to be correlated, then this makes it more likely that something other than differential STI treatment is responsible for variations in the prevalence of both HSV-2 and syphilis. Methods. Simple linear regression was used to evaluate the relationship between national antenatal syphilis prevalence and HSV-2 prevalence in women in two time periods: 1990–1999 and 2008. Adjustments were performed for the laboratory syphilis testing algorithm used and the prevalence of circumcision. Results. The prevalence of syphilis was positively correlated with that of HSV-2 for both time periods (adjusted correlations, 20–24-year-olds: 1990–99: R2=0.54, P<0.001; 2008: R2=0.41, P<0.001 and 40–44-year-olds: 1990–99: R2=0.42, P<0.001; 2008: R2=0.49, P<0.001. Conclusion. The prevalence of syphilis and HSV-2 is positively correlated. This could be due to a common set of risk factors underpinning both STIs.

  4. Strong Country Level Correlation between Syphilis and HSV-2 Prevalence

    Science.gov (United States)

    Kenyon, Chris Richard; Tsoumanis, Achilleas

    2016-01-01

    Background. Syphilis is curable but Herpes Simplex Virus-2 (HSV-2) is not. As a result, the prevalence of syphilis but not HSV-2 may be influenced by the efficacy of national STI screening and treatment capacity. If the prevalence of syphilis and HSV-2 is found to be correlated, then this makes it more likely that something other than differential STI treatment is responsible for variations in the prevalence of both HSV-2 and syphilis. Methods. Simple linear regression was used to evaluate the relationship between national antenatal syphilis prevalence and HSV-2 prevalence in women in two time periods: 1990–1999 and 2008. Adjustments were performed for the laboratory syphilis testing algorithm used and the prevalence of circumcision. Results. The prevalence of syphilis was positively correlated with that of HSV-2 for both time periods (adjusted correlations, 20–24-year-olds: 1990–99: R 2 = 0.54, P < 0.001; 2008: R 2 = 0.41, P < 0.001 and 40–44-year-olds: 1990–99: R 2 = 0.42, P < 0.001; 2008: R 2 = 0.49, P < 0.001). Conclusion. The prevalence of syphilis and HSV-2 is positively correlated. This could be due to a common set of risk factors underpinning both STIs. PMID:27069710

  5. Femtosecond switching of magnetism via strongly correlated spin-charge quantum excitations.

    Science.gov (United States)

    Li, Tianqi; Patz, Aaron; Mouchliadis, Leonidas; Yan, Jiaqiang; Lograsso, Thomas A; Perakis, Ilias E; Wang, Jigang

    2013-04-04

    The technological demand to push the gigahertz (10(9) hertz) switching speed limit of today's magnetic memory and logic devices into the terahertz (10(12) hertz) regime underlies the entire field of spin-electronics and integrated multi-functional devices. This challenge is met by all-optical magnetic switching based on coherent spin manipulation. By analogy to femtosecond chemistry and photosynthetic dynamics--in which photoproducts of chemical and biochemical reactions can be influenced by creating suitable superpositions of molecular states--femtosecond-laser-excited coherence between electronic states can switch magnetic order by 'suddenly' breaking the delicate balance between competing phases of correlated materials: for example, manganites exhibiting colossal magneto-resistance suitable for applications. Here we show femtosecond (10(-15) seconds) photo-induced switching from antiferromagnetic to ferromagnetic ordering in Pr0.7Ca0.3MnO3, by observing the establishment (within about 120 femtoseconds) of a huge temperature-dependent magnetization with photo-excitation threshold behaviour absent in the optical reflectivity. The development of ferromagnetic correlations during the femtosecond laser pulse reveals an initial quantum coherent regime of magnetism, distinguished from the picosecond (10(-12) seconds) lattice-heating regime characterized by phase separation without threshold behaviour. Our simulations reproduce the nonlinear femtosecond spin generation and underpin fast quantum spin-flip fluctuations correlated with coherent superpositions of electronic states to initiate local ferromagnetic correlations. These results merge two fields, femtosecond magnetism in metals and band insulators, and non-equilibrium phase transitions of strongly correlated electrons, in which local interactions exceeding the kinetic energy produce a complex balance of competing orders.

  6. Strongly correlated dynamics in multichannel quantum {RC} circuits

    OpenAIRE

    Dutt Prasenjit; Schmidt Thomas L.; Mora Christophe; Le Hur Karyn

    2013-01-01

    We examine dissipation effects in a multichannel quantum RC circuit, comprising a cavity or single-electron box capacitively coupled to a gate and connected to a reservoir lead via several conducting channels. Depending on the engineering details of the quantum RC circuit, the number of channels contributing to transport vary, as do the form of the interchannel couplings. For low-frequency AC transport, the charge-relaxation resistance ($R_{q}$) is a nontrivial function of the parameters of t...

  7. Some Applications of Holography to Study Strongly Correlated Systems

    Directory of Open Access Journals (Sweden)

    Bhatnagar Neha

    2018-01-01

    Full Text Available In this work, we study the transport coefficients of strongly coupled condensed matter systems using gauge/gravity duality (holography. We consider examples from the real world and evaluate the conductivities from their gravity duals. Adopting the bottom-up approach of holography, we obtain the frequency response of the conductivity for (1+1-dimensional systems. We also evaluate the DC conductivities for non-relativistic condensed matter systems with hyperscaling violating geometry.

  8. Electron correlation for helium-like atoms

    Energy Technology Data Exchange (ETDEWEB)

    Roy, U. [Visvabharati Univ., Santiniketan (India). Dept. of Comput. Sci.; Talukdar, B. [Visvabharati Univ., Santiniketan (India). Dept. of Physics

    1999-02-01

    A recently proposed analytical approach to the ground-state energy of helium atom is generalised to study the effect of electron-electron correlation on the properties of helium isoelectronic sequence. The expectation values of the Hamiltonian and some important functions of radial distances are expressed in terms of derivatives of Lewis integrals which not only permit the straightforward variational calculation to get numerical results but also help one derive interesting recurrence relations for radial expectation values. The results presented for atoms from H{sup -} to Si{sup 12+} indicate that the present analytical model will have quantitative applicability for the study of electronic correlation in high-Z helium-like atoms within the framework of non-relativistic quantum mechanics. (orig.) 22 refs.

  9. Correlation effects in electron-atom collisions

    International Nuclear Information System (INIS)

    Water, W. van de.

    1981-01-01

    This thesis deals with correlation effects occurring in the outer region of configuration space after an ionising collision. The motion of both escaping electrons in the external region is then fully determined by the long-range Coulomb forces. Firstly the threshold ionisation of hydrogen-like targets is studied. In that case two slow electrons attempt to escape from the Coulomb attraction of the residual ion. Secondly ionising collisions, with the formation of an autoionising state as an intermediate step, are considered. Such an autoionising state is in fact a quasi bound state of the neutral atom which lies imbedded in the ionisation continuum. The state decays after a certain lifetime by emission of an electron. Of all states to be formed in the reaction region only the autoionising state(s) under consideration is then relevant for this type of ionisation process. The energy positions of autoionising states usually are such that the electron to be ionised is ejected with a rather large velocity. The correlation in the outer region of configuration space then consists of the interaction of a fast ejected electron and, in case of threshold excitation of the autoionising state, a slow scattered electron. (Auth.)

  10. Can strong correlations be experimentally revealed for Ҡ -mesons?

    Directory of Open Access Journals (Sweden)

    Hiesmayr Beatrix C.

    2014-01-01

    Full Text Available In 1964 the physicists John St. Bell working at CERN took the 1935-idea of Einstein-Podolsky-Rosen seriously and found that all theories based on local realism have to satisfy a certain inequality, nowadays dubbed Bell’s inequality. Experiments with ordinary matter systems or light show violations of Bell’s inequality favouring the quantum theory though a loophole free experiment has not yet been performed. This contribution presents an experimentally feasible Bell inequality for systems at higher energy scales, i.e. entangled neutral Ҡ -meson pairs that are typically produced in Φ -mesons decays or proton-antiproton annihilation processes. Strong requirements have to be overcome in order to achieve a conclusive tests, such a proposal was recently published. Surprisingly, this new Bell inequality reveals new features for weakly decaying particles, in particular, a strong sensitivity to the combined charge-conjugation-parity (CP symmetry. Here-with, a puzzling relation between a symmetry breaking for mesons and Bell’s inequality—which is a necessary and sufficient condition for the security of quantum cryptography protocols— is established. This becomes the more important since CP symmetry is related to the cosmological question why the antimatter disappeared after the Big Bang.

  11. Electron-positron-photon cascades in the strong laser field

    Science.gov (United States)

    Legkov, Maxim; Fedotov, Alexander

    2012-06-01

    At nearest future several ambitious projects (such as ELI and HiPER) may provide laser filed intensity up to 10^23--10^24 W/cm^2. In such strong fields quantum effects are essential. The most important among them is production of QED cascades. In this paper external field intensity is considered as ultra-relativistic but subcritical. Using a model of two colliding counter-propagating laser beams it was shown that the number of particles during the process is growing exponentially in time. This leads to vast formation of electron-positron-photon plasma. According to numerical simulations, this plasma quickly absorbs an essential part of the energy of the laser field thus leading to its depletion. Numerical simulation has been also performed for a case of high-energetic particle and laser beam collision. Probability rates of direct and recombination processes have been theoretically studied. Under some conditions, recombination may come into play and suppress cascade development. Using approximation of radiation in forward direction, system of kinetic equations, which describes plasma evaluation, was constructed. According to qualitative estimations based on kinetic equations, it was shown that recombination processes can be neglected for optical frequencies range of external field.

  12. Mechanisms of molecular electronic rectification through electronic levels with strong vibrational coupling

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2002-01-01

    We present a new view and an analytical formalism of electron flow through a donor-acceptor molecule inserted between a pair of metal electrodes. The donor and acceptor levels are strongly coupled to an environmental nuclear continuum. The formalism applies to molecular donor-acceptor systems both...... in vacuum or air, and in aqueous solution under electrochemical potential control. Multifarious patterns of rectified electron flow from the negatively to the positively biased electrode arise. The electronic interaction between the donor and acceptor fragments, mutually and with the electrodes, can be weak...

  13. Scaling of non-Ohmic conduction in strongly correlated systems

    Science.gov (United States)

    Talukdar, D.; Nandi, U. N.; Poddar, A.; Mandal, P.; Bardhan, K. K.

    2012-10-01

    A new scaling formalism is used to analyze nonlinear I-V data in the vicinity of metal-insulator transitions (MIT) in five manganite systems. An exponent, called the nonlinearity exponent, and an onset field for nonlinearity, both characteristic of the system under study, are obtained from the analysis. The onset field is found to have an anomalously low value corroborating the theoretically predicted electronically soft phases. The scaling functions above and below the MIT of a polycrystalline sample are found to be the same but with different exponents which are attributed to the distribution of the MIT temperatures. The applicability of the scaling in manganites underlines the universal response of the disordered systems to electric field.

  14. Electron Correlations in Local Effective Potential Theory

    Directory of Open Access Journals (Sweden)

    Viraht Sahni

    2016-08-01

    Full Text Available Local effective potential theory, both stationary-state and time-dependent, constitutes the mapping from a system of electrons in an external field to one of the noninteracting fermions possessing the same basic variable such as the density, thereby enabling the determination of the energy and other properties of the electronic system. This paper is a description via Quantal Density Functional Theory (QDFT of the electron correlations that must be accounted for in such a mapping. It is proved through QDFT that independent of the form of external field, (a it is possible to map to a model system possessing all the basic variables; and that (b with the requirement that the model fermions are subject to the same external fields, the only correlations that must be considered are those due to the Pauli exclusion principle, Coulomb repulsion, and Correlation–Kinetic effects. The cases of both a static and time-dependent electromagnetic field, for which the basic variables are the density and physical current density, are considered. The examples of solely an external electrostatic or time-dependent electric field constitute special cases. An efficacious unification in terms of electron correlations, independent of the type of external field, is thereby achieved. The mapping is explicated for the example of a quantum dot in a magnetostatic field, and for a quantum dot in a magnetostatic and time-dependent electric field.

  15. Vector neural net identifying many strongly distorted and correlated patterns

    Science.gov (United States)

    Kryzhanovsky, Boris V.; Mikaelian, Andrei L.; Fonarev, Anatoly B.

    2005-01-01

    We suggest an effective and simple algorithm providing a polynomial storage capacity of a network of the form M ~ N2s+1, where N is the dimension of the stored binary patterns. In this problem the value of the free parameter s is restricted by the inequalities N >> slnN >= 1. The algorithm allows us to identify a large number of highly distorted similar patterns. The negative influence of correlations of the patterns is suppressed by choosing a sufficiently large value of the parameter s. We show the efficiency of the algorithm by the example of a perceptron identifier, but it also can be used to increase the storage capacity of full connected systems of associative memory.

  16. Auxiliary-Field Quantum Monte Carlo Simulations of Strongly-Correlated Systems, the Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-11-07

    In this final report, we present preliminary results of ground state phases of interacting spinless Dirac fermions. The name "Dirac fermion" originates from the fact that low-energy excitations of electrons hopping on the honeycomb lattice are described by a relativistic Dirac equation. Dirac fermions have received much attention particularly after the seminal work of Haldale1 which shows that the quantum Hall physics can be realized on the honeycomb lattice without magnetic fields. Haldane's work later becomes the foundation of topological insulators (TIs). While the physics of TIs is based largely on spin-orbit coupled non-interacting electrons, it was conjectured that topological insulators can be induced by strong correlations alone.

  17. Electron correlations in narrow band systems

    International Nuclear Information System (INIS)

    Kishore, R.

    1983-01-01

    The effect of the electron correlations in narrow bands, such as d(f) bands in the transition (rare earth) metals and their compounds and the impurity bands in doped semiconductors is studied. The narrow band systems is described, by the Hubbard Hamiltonian. By proposing a local self-energy for the interacting electron, it is found that the results are exact in both atomic and band limits and reduce to the Hartree Fock results for U/Δ → 0, where U is the intra-atomic Coulomb interaction and Δ is the bandwidth of the noninteracting electrons. For the Lorentzian form of the density of states of the noninteracting electrons, this approximation turns out to be equivalent to the third Hubbard approximation. A simple argument, based on the mean free path obtained from the imaginary part of the self energy, shows how the electron correlations can give rise to a discontinous metal-nonmetal transition as proposed by Mott. The band narrowing and the existence of the satellite below the Fermi energy in Ni, found in photoemission experiments, can also be understood. (Author) [pt

  18. Numerical path integral solution to strong Coulomb correlation in one dimensional Hooke's atom

    Science.gov (United States)

    Ruokosenmäki, Ilkka; Gholizade, Hossein; Kylänpää, Ilkka; Rantala, Tapio T.

    2017-01-01

    We present a new approach based on real time domain Feynman path integrals (RTPI) for electronic structure calculations and quantum dynamics, which includes correlations between particles exactly but within the numerical accuracy. We demonstrate that incoherent propagation by keeping the wave function real is a novel method for finding and simulation of the ground state, similar to Diffusion Monte Carlo (DMC) method, but introducing new useful tools lacking in DMC. We use 1D Hooke's atom, a two-electron system with very strong correlation, as our test case, which we solve with incoherent RTPI (iRTPI) and compare against DMC. This system provides an excellent test case due to exact solutions for some confinements and because in 1D the Coulomb singularity is stronger than in two or three dimensional space. The use of Monte Carlo grid is shown to be efficient for which we determine useful numerical parameters. Furthermore, we discuss another novel approach achieved by combining the strengths of iRTPI and DMC. We also show usefulness of the perturbation theory for analytical approximates in case of strong confinements.

  19. Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems.

    Science.gov (United States)

    Filatov, Michael

    2016-01-01

    Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn-Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended π-conjugated systems, donor-acceptor charge transfer adducts, etc.

  20. Proceedings, strongly correlated electronic materials: The Los Alamos symposium 1993

    International Nuclear Information System (INIS)

    Bedell, K.S.

    1994-01-01

    The subject included such topics as high temperature superconductors, heavy-fermion insulators and superconductors, the metal-insulator transition, the superconductor-insulator transition and unusual (non-Fermi liquid) normal metallic states. The symposium was structured around 13 invited review talks; with each talk, there were several (about 30) related short presentations and discussion sections (90 pages). The review talks and short papers were processed separately for the data base

  1. [Realistic theories of heavy electron and other strongly correlated materials

    International Nuclear Information System (INIS)

    1993-01-01

    Research on the following topics is summarized: non-perturbative treatments of multi-channel Kondo models, non-perturbative treatments of multi-band models for the quadrupolar fluctuation model of the cuprates, extension of the two-channel Kondo model to other materials and treatment of the infinite-dimensional Hubbard model within the Non-crossing approximation. Data on the specific heat of Y 0.8 U 0.2 Pd 3 and the c-axis susceptibility and specific heat of U in ThRu 2 Si are shown. 5 figs., 84 refs

  2. [Realistic theories of heavy electron and other strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    1993-04-01

    Research on the following topics is summarized: non-perturbative treatments of multi-channel Kondo models, non-perturbative treatments of multi-band models for the quadrupolar fluctuation model of the cuprates, extension of the two-channel Kondo model to other materials and treatment of the infinite-dimensional Hubbard model within the Non-crossing approximation. Data on the specific heat of Y{sub 0.8}U{sub 0.2}Pd{sub 3} and the c-axis susceptibility and specific heat of U in ThRu{sub 2}Si are shown. 5 figs., 84 refs.

  3. Strong electron correlation in photoionization of spin-orbit doublets

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Chernysheva, L.V.; Manson, S.T.; Msezane, A.M.; Radojevic, V.

    2002-01-01

    A new and explicitly many-body aspect of the 'leveraging' of the spin-orbit interaction is demonstrated, spin-orbit activated interchannel coupling, which can significantly alter the photoionization cross section of a spin-orbit doublet. As an example, it is demonstrated via a modified version of the spin-polarized random phase approximation with exchange, that a recently observed unexplained structure in the Xe 3d 5/2 photoionization cross section [A. Kivimaeki et al., Phys. Rev. A 63, 012716 (2000)] is entirely due to this effect. Similar features are predicted for Cs 3d 5/2 and Ba 3d 5/2

  4. Electron correlation in molecules and condensed phases

    CERN Document Server

    March, N H

    1996-01-01

    This reference describes the latest research on correlation effects in the multicenter problems of atoms, molecules, and solids The author utilizes first- and second-order matrices, including the important observable electron density rho(r), and the Green function for discussing quantum computer simulations With its focus on concepts and theories, this volume will benefit experimental physicists, materials scientists, and physical and inorganic chemists as well as graduate students

  5. CLAFEM: Correlative light atomic force electron microscopy.

    Science.gov (United States)

    Janel, Sébastien; Werkmeister, Elisabeth; Bongiovanni, Antonino; Lafont, Frank; Barois, Nicolas

    2017-01-01

    Atomic force microscopy (AFM) is becoming increasingly used in the biology field. It can give highly accurate topography and biomechanical quantitative data, such as adhesion, elasticity, and viscosity, on living samples. Nowadays, correlative light electron microscopy is a must-have tool in the biology field that combines different microscopy techniques to spatially and temporally analyze the structure and function of a single sample. Here, we describe the combination of AFM with superresolution light microscopy and electron microscopy. We named this technique correlative light atomic force electron microscopy (CLAFEM) in which AFM can be used on fixed and living cells in association with superresolution light microscopy and further processed for transmission or scanning electron microscopy. We herein illustrate this approach to observe cellular bacterial infection and cytoskeleton. We show that CLAFEM brings complementary information at the cellular level, from on the one hand protein distribution and topography at the nanometer scale and on the other hand elasticity at the piconewton scales to fine ultrastructural details. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Investigating short-range magnetism in strongly correlated materials via magnetic pair distribution function analysis and ab initio theory

    Science.gov (United States)

    Frandsen, Benjamin; Page, Katharine; Brunelli, Michela; Staunton, Julie; Billinge, Simon

    Short-range magnetic correlations are known to exist in a variety of strongly correlated electron systems, but our understanding of the role they play is challenged by the difficulty of experimentally probing such correlations. Magnetic pair distribution function (mPDF) analysis is a newly developed neutron total scattering method that can reveal short-range magnetic correlations directly in real space, and may therefore help ameliorate this difficulty. We present temperature-dependent mPDF measurements of the short-range magnetic correlations in the paramagnetic phase of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. We observe significant correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range-ordered spin arrangement. With no free parameters, ab initio calculations using the self-interaction-corrected local spin density approximation of density functional theory quantitatively reproduce the magnetic correlations to a high degree of accuracy. These results yield valuable insight into the magnetic exchange in MnO and showcase the utility of the mPDF technique for studying magnetic properties of strongly correlated electron systems.

  7. Algorithmic implementation of particle-particle ladder diagram approximation to study strongly-correlated metals and semiconductors

    Science.gov (United States)

    Prayogi, A.; Majidi, M. A.

    2017-07-01

    In condensed-matter physics, strongly-correlated systems refer to materials that exhibit variety of fascinating properties and ordered phases, depending on temperature, doping, and other factors. Such unique properties most notably arise due to strong electron-electron interactions, and in some cases due to interactions involving other quasiparticles as well. Electronic correlation effects are non-trivial that one may need a sufficiently accurate approximation technique with quite heavy computation, such as Quantum Monte-Carlo, in order to capture particular material properties arising from such effects. Meanwhile, less accurate techniques may come with lower numerical cost, but the ability to capture particular properties may highly depend on the choice of approximation. Among the many-body techniques derivable from Feynman diagrams, we aim to formulate algorithmic implementation of the Ladder Diagram approximation to capture the effects of electron-electron interactions. We wish to investigate how these correlation effects influence the temperature-dependent properties of strongly-correlated metals and semiconductors. As we are interested to study the temperature-dependent properties of the system, the Ladder diagram method needs to be applied in Matsubara frequency domain to obtain the self-consistent self-energy. However, at the end we would also need to compute the dynamical properties like density of states (DOS) and optical conductivity that are defined in the real frequency domain. For this purpose, we need to perform the analytic continuation procedure. At the end of this study, we will test the technique by observing the occurrence of metal-insulator transition in strongly-correlated metals, and renormalization of the band gap in strongly-correlated semiconductors.

  8. Realistic theory of electronic correlations in nanoscopic systems

    Science.gov (United States)

    Schüler, Malte; Barthel, Stefan; Wehling, Tim; Karolak, Michael; Valli, Angelo; Sangiovanni, Giorgio

    2017-07-01

    Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications of theoretical approaches for the realistic description of the electronic and magnetic properties of nanostructures with correlated electrons. First, the implementation of a flexible interface between density functional theory and a variant of dynamical mean field theory (DMFT) highly suitable for the simulation of complex correlated structures is explained and illustrated. On the DMFT side, this interface is largely based on recent developments of quantum Monte Carlo and exact diagonalization techniques allowing for efficient descriptions of general four fermion Coulomb interactions, reduced symmetries and spin-orbit coupling, which are explained here. With the examples of the Cr (001) surfaces, magnetic adatoms, and molecular systems it is shown how the interplay of Hubbard U and Hund's J determines charge and spin fluctuations and how these interactions drive different sorts of correlation effects in nanosystems. Non-local interactions and correlations present a particular challenge for the theory of low dimensional systems. We present our method developments addressing these two challenges, i.e., advancements of the dynamical vertex approximation and a combination of the constrained random phase approximation with continuum medium theories. We demonstrate how non-local interaction and correlation phenomena are controlled not only by dimensionality but also by coupling to the environment which is typically important for determining the physics of nanosystems.

  9. Effect of strong coupling on interfacial electron transfer dynamics in ...

    Indian Academy of Sciences (India)

    Unknown

    Radiation & Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 e-mail: hnghosh@barc.gov.in. Abstract. Dynamics of interfacial electron transfer (ET) in ruthenium ..... As the localization takes place mostly on bpy-cat ligand, ILET process does not interfere much in the electron injection ...

  10. Radiation effects on relativistic electrons in strong external fields

    International Nuclear Information System (INIS)

    Iqbal, Khalid

    2013-01-01

    The effects of radiation of high energy electron beams are a major issue in almost all types of charged particle accelerators. The objective of this thesis is both the analytical and numerical study of radiation effects. Due to its many applications the study of the self force has become a very active and productive field of research. The main part of this thesis is devoted to the study of radiation effects in laser-based plasma accelerators. Analytical models predict the existence of radiation effects. The investigation of radiation reaction show that in laser-based plasma accelerators, the self force effects lower the energy gain and emittance for moderate energies electron beams and increase the relative energy spread. However, for relatively high energy electron beams, the self radiation and retardation (radiation effects of one electron on the other electron of the system) effects increase the transverse emittance of the beam. The energy gain decreases to even lower value and relative energy spread increases to even higher value due to high radiation losses. The second part of this thesis investigates with radiation reaction in focused laser beams. Radiation effects are very weak even for high energy electrons. The radiation-free acceleration and the simple practical setup make direct acceleration in a focused laser beam very attractive. The results presented in this thesis can be helpful for the optimization of future electron acceleration experiments, in particular in the case of laser-plasma accelerators.

  11. Nano-engineering of electron correlation in oxide superlattices

    Science.gov (United States)

    Laverock, J.; Gu, M.; Jovic, V.; Lu, J. W.; Wolf, S. A.; Qiao, R. M.; Yang, W.; Smith, K. E.

    2017-12-01

    Oxide heterostructures and superlattices (SLs) have attracted a great deal of attention in recent years owing to the rich exotic properties encountered at their interfaces. We focus on the potential of tunable correlated oxides by investigating the spectral function of the prototypical correlated metal SrVO3, using soft x-ray absorption spectroscopy and resonant inelastic soft x-ray scattering to access both unoccupied and occupied electronic states, respectively. We demonstrate a remarkable level of tunability in the spectral function of SrVO3 by varying its thickness within the SrVO3/SrTiO3 SL, showing that the effects of electron correlation can be tuned from dominating the energy spectrum in a strongly correlated Mott–Hubbard insulator, towards a correlated metal. We show that the effects of dimensionality on the correlated properties of SrVO3 are augmented by interlayer coupling, yielding a highly flexible correlated oxide that may be readily married with other oxide systems.

  12. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

    Science.gov (United States)

    Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

    2017-01-17

    The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than

  13. Atomic physics of strongly correlated systems: Progress report, 1 February 1988--15 January 1989

    International Nuclear Information System (INIS)

    Lin Chii-Dong.

    1989-01-01

    This report presents the progress made in our continuing study of strongly correlated atomic systems for the last contract period. In the area of hyperspherical coordinates for Coulombic three-body systems of arbitrary masses a general computing code has been developed. Calculation of the adiabatic potential curves have been accomplished for the e/sup /minus//e + e/sup /minus// system of arbitrary L, S and parity π. It was found that these curves behave very similar to the potential curves of H/sup /minus// except for a mass scaling. We have also examined the mass dependence of the ground state potential curves for systems of three charged particles, AAB, and showed that the curves become more attractive as the mass m/sub A/ becomes larger than m/sub B/. For ion-atom collisions we have examined the transfer-excitation (TE) processes to establish the importance of electron correlations in these two-electron transitions. We have also examined the orientation parameters for excited states formed in collisions with positive and negative charged particles to establish the relation between the sign of the charge of the incident particles to the sign of

  14. Hard X-ray PhotoEmission Spectroscopy of strongly correlated systems

    Science.gov (United States)

    Panaccione, Giancarlo; Offi, Francesco; Sacchi, Maurizio; Torelli, Piero

    2008-06-01

    Hard X-ray PhotoEmission Spectroscopy (HAXPES) is a new tool for the study of bulk electronic properties of solids using synchrotron radiation. We review recent achievements of HAXPES, with particular reference to the VOLPE project, showing that high energy resolution and bulk sensitivity can be obtained at kinetic energies of 6-8 keV. We present also the results of recent studies on strongly correlated materials, such as vanadium sesquioxide and bilayered manganites, revealing the presence of different screening properties in the bulk with respect to the surface. We discuss the relevant experimental features of the metal-insulator transition in these materials. To cite this article: G. Panaccione et al., C. R. Physique 9 (2008).

  15. Quantum physics of light and matter photons, atoms, and strongly correlated systems

    CERN Document Server

    Salasnich, Luca

    2017-01-01

    This compact but exhaustive textbook, now in its significantly revised and expanded second edition, provides an essential introduction to the field quantization of light and matter with applications to atomic physics and strongly correlated systems. Following an initial review of the origins of special relativity and quantum mechanics, individual chapters are devoted to the second quantization of the electromagnetic field and the consequences of light field quantization for the description of electromagnetic transitions. The spin of the electron is then analyzed, with particular attention to its derivation from the Dirac equation. Subsequent topics include the effects of external electric and magnetic fields on the atomic spectra and the properties of systems composed of many interacting identical particles. The book also provides a detailed explanation of the second quantization of the non-relativistic matter field, i.e., the Schrödinger field, which offers a powerful tool for the investigation of many-body...

  16. Quantum criticality and emergence of the T/B scaling in strongly correlated metals

    International Nuclear Information System (INIS)

    Watanabe, Shinji; Miyake, Kazumasa

    2016-01-01

    A new type of scaling observed in heavy-electron metal β-YbAlB 4 , where the magnetic susceptibility is expressed as a single scaling function of the ratio of temperature T and magnetic field B over four decades, is examined theoretically. We develop the mode-coupling theory for critical Yb-valence fluctuations under a magnetic field, verifying that the T/B scaling behavior appears near the QCP of the valence transition. Emergence of the T/B scaling indicates the presence of the small characteristic temperature of the critical Yb-valence fluctuation due to the strong local correlation effect. It is discussed that the T/B scaling as well as the unconventional criticality is explained from the viewpoint of the quantum valence criticality in a unified way.

  17. Electron correlation explored through electron spectrometry using synchrotron radiation

    International Nuclear Information System (INIS)

    Caldwell, C.D.; Whitfield, S.B.; Flemming, M.G.

    1991-01-01

    The development of synchrotron radiation facilities as a research tool has made possible experiments which provide new insights into the role which correlation plays in electron dynamics and atomic and molecular structure. Features such as autoionizing resonances, normal and resonant Auger decay modes, and ionization threshold structure have become visible in a wealth of new detail. Some aspects of this information drawn from recent experiments on the alkaline earth metals and the rare gases are presented. The potential for increased flux and resolution inherent in insertion device-based facilities like the Advanced Light Source should advance this understanding even further, and some future directions are suggested. 8 refs., 8 figs

  18. Controlling electron-electron correlation in frustrated double ionization of triatomic molecules with orthogonally polarized two-color laser fields

    Science.gov (United States)

    Chen, A.; Kling, M. F.; Emmanouilidou, A.

    2017-09-01

    We demonstrate the control of electron-electron correlation in frustrated double ionization (FDI) of the two-electron triatomic molecule D3 + when driven by two orthogonally polarized two-color laser fields. We employ a three-dimensional semiclassical model that fully accounts for the electron and nuclear motion in strong fields. We analyze the FDI probability and the distribution of the momentum of the escaping electron along the polarization direction of the longer wavelength and more intense laser field. These observables, when considered in conjunction, bear clear signatures of the prevalence or absence of electron-electron correlation in FDI, depending on the time delay between the two laser pulses. We find that D3 + is a better candidate than H2 for demonstrating also experimentally that electron-electron correlation indeed underlies FDI.

  19. Effect of strong coupling on interfacial electron transfer dynamics in ...

    Indian Academy of Sciences (India)

    Unknown

    Bonnett R, Lambert C, Land E J, Scourides P A, Sin- clair R S and Truscott T G 1983 Photochem. Photo- biol. 38 1. 18. Mataga N 1991 in Electron transfer in inorganic, organic, and biological systems (eds) J R Bolton, N. Mataga and G McLendon (Advances in Chemistry. Series) (Washington, DC:) pp. 91–115. 19. Furube A ...

  20. Electron dynamics in metals and semiconductors in strong THz fields

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd

    2017-01-01

    Semiconductors and metals respond to strong electric fields in a highly nonlinear fashion. Using single-cycle THz field transients it is possible to investigate this response in regimes not accessible by transport-based measurements. Extremely high fields can be applied without material damage...

  1. Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems.

    Science.gov (United States)

    Ghosh, Soumen; Cramer, Christopher J; Truhlar, Donald G; Gagliardi, Laura

    2017-04-01

    Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation. Strongly correlated systems, i.e. , systems with near-degeneracy correlation effects, are particularly troublesome. Multiconfigurational wave function methods based on an active space are adequate in principle, but it is impractical to capture most of the dynamic correlation in these methods for systems characterized by many active electrons. We recently developed a new method called multiconfiguration pair-density functional theory (MC-PDFT), that combines the advantages of wave function theory and density functional theory to provide a more practical treatment of strongly correlated systems. Here we present calculations of the singlet-triplet gaps in oligoacenes ranging from naphthalene to dodecacene. Calculations were performed for unprecedently large orbitally optimized active spaces of 50 electrons in 50 orbitals, and we test a range of active spaces and active space partitions, including four kinds of frontier orbital partitions. We show that MC-PDFT can predict the singlet-triplet splittings for oligoacenes consistent with the best available and much more expensive methods, and indeed MC-PDFT may constitute the benchmark against which those other models should be compared, given the absence of experimental data.

  2. Electronic correlations in hole- and electron-doped Fe-based superconductors

    Science.gov (United States)

    Hardy, Frederic; Boehmer, Anna; Schweiss, Peter; Wolf, Thomas; Heid, Rolf; Eder, Robert; Fisher, Robert A.; Meingast, Christoph

    2015-03-01

    High-temperature superconductivity in the cuprates occurs at the crossover from a highly-correlated Mott insulating state to a weaker correlated Fermi liquid as a function of hole doping. The iron pnictides were initially thought to be fairly weakly correlated. However, we have recently shown using transport and thermodynamic measurements that KFe2As2 is strongly correlated. Both the Sommerfeld coefficient and the Pauli susceptibility are strongly enhanced with respect to their bare DFT values. These correlations are even further enhanced in RbFe2As2andCsFe2As2. The temperature dependence of both the susceptibility and the thermal expansion provides strong experimental evidence for the existence of a coherence-incoherence crossover; similar to what is found in heavy-fermion compounds. Whereas the correlations in the cuprates result from a large value of the Hubbard U, recent works have stressed the particular relevance of Hund's coupling in the pnictides. Our data may be interpreted in terms of a close proximity of KFe2As2 to an orbital-selective Mott transition. We now have good thermodynamic data covering both the hole and electron sides of the BaFe2As2 system and we will discuss how these correlations are modified by doping.

  3. Strongly Coupled Magnetic and Electronic Transitions in Multivalent Strontium Cobaltites

    OpenAIRE

    Lee, J. H.; Choi, Woo Seok; Jeen, H.; Lee, H.-J.; Seo, J. H.; Nam, J.; Yeom, M. S.; Lee, H. N.

    2017-01-01

    The topotactic phase transition in SrCoO x (x = 2.5–3.0) makes it possible to reversibly transit between the two distinct phases, i.e. the brownmillerite SrCoO2.5 that is a room-temperature antiferromagnetic insulator (AFM-I) and the perovskite SrCoO3 that is a ferromagnetic metal (FM-M), owing to their multiple valence states. For the intermediate x values, the two distinct phases are expected to strongly compete with each other. With oxidation of SrCoO2.5, however, it has been conjectured t...

  4. Three-qutrit correlations violate local realism more strongly than those of three qubits

    International Nuclear Information System (INIS)

    Kaszlikowski, Dagomir; Gosal, Darwin; Ling, E.J.; Oh, C.H.; Kwek, L.C.; Zukowski, Marek

    2002-01-01

    We present numerical data showing that three-qutrit correlations for a pure state, which is not maximally entangled, violate local realism more strongly than three-qubit correlations. The strength of violation is measured by the minimal amount of noise that must be admixed to the system so that the noisy correlations have a local and realistic model

  5. Correlated radiative double electron capture (RDEC) in collisions of bare oxygen ions with carbon targets

    Science.gov (United States)

    Simon, A.; Tanis, J. A.; ElKafrawy, T.; Warczak, A.

    2009-11-01

    Multielectron capture processes observed in low energy collisions of bare ions give insight into electron-electron correlations in strong fields. The main intention of this experiment is to observe radiative double electron capture (RDEC) in collisions of bare oxygen ions at energies of a few MeV/u with carbon targets. Measured results are to be compared with recent theoretical calculations.

  6. Strong-field control landscapes of coherent electronic excitation

    Science.gov (United States)

    Bayer, Tim; Wollenhaupt, Matthias; Baumert, Thomas

    2008-04-01

    We report on physical mechanisms behind resonant strong-field coherent control. To this end, we study multi-photon ionization of potassium atoms using intense shaped femtosecond laser pulses. The measured photoelectron spectra are discussed in terms of selective population of dressed states (SPODS). A physically motivated pulse parameterization is introduced which opens up two-dimensional parameter spaces comprising pulse sequences as well as chirped pulses. The control topologies of these subspaces are mapped out experimentally and are presented in the form of strong-field control landscapes (SFCLs). In the SFCLs, complementary realizations of SPODS via photon locking and rapid adiabatic passage are observed. Moreover, the combined effect, termed Multi-RAP, arises when both mechanisms are at play simultaneously. In order to better understand the performance of adaptive optimization procedures, we experimentally study their capability to find optimal solutions on a given parameter space. The evolution of different optimization procedures is visualized by means of control trajectories on the surface of the measured SFCL.

  7. Inelastic electron scattering influence on the strong coupling oxide superconductors

    International Nuclear Information System (INIS)

    Gabovich, A.M.; Voitenko, A.I.

    1995-01-01

    The superconducting order parameters Δ and energy gap Δ g are calculated taking into account the pair-breaking inelastic quasiparticle scattering by thermal Bose-excitations, e.g., phonons. The treatment is self-consistent because the scattering amplitude depends on Δ. The superconducting transition for any strength of the inelastic scattering is the phase transition of the first kind and the dependences Δ (T) and Δ g (T) tend to rectangular curve that agrees well with the experiment for high-Tc oxides. On the basis of the developed theory the nuclear spin-lattice relaxation rate R s in the superconducting state is calculated. The Hebel-Slichter peak in R s (T) is shown to disappear for strong enough inelastic scattering

  8. The shot noise of a strongly correlated quantum dot coupled to the Luttinger liquid leads

    International Nuclear Information System (INIS)

    Yang, Kai-Hua; He, Xian; Wang, Huai-Yu; Liu, Kai-Di; Liu, Bei-Yun

    2014-01-01

    We study the shot noise of a strongly correlated quantum dot weakly coupled to Luttinger liquid leads in the Kondo regime by means of the extended equation of motion method. A general zero-frequency shot noise formula with good convergence is derived. The shot noise exhibits a non-monotonic dependence on voltage for weak intralead interaction. There is a peak around the Kondo temperature at low voltage when the interaction is very weak, and its height decreases rapidly with the intralead interaction increasing. When the interaction is moderately strong the peak disappears and the shot noise scales as a power law in bias voltage, indicating that the intralead electron interaction suppresses the shot noise. It is possible that the measurements of the shot noise spectrum can extract the information of the intralead interaction. - Highlights: • The shot noise of a dot coupled to Luttinger liquid leads in the Kondo regime. • A shot noise formula is derived. • Intralead interaction suppresses the shot noise. • The noise shows different voltage-dependence for different intralead interaction

  9. Exchange and spin-fluctuation superconducting pairing in the strong correlation limit of the Hubbard model

    International Nuclear Information System (INIS)

    Plakida, N. M.; Anton, L.; Adam, S. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO); Adam, Gh. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO)

    2001-01-01

    A microscopical theory of superconductivity in the two-band singlet-hole Hubbard model, in the strong coupling limit in a paramagnetic state, is developed. The model Hamiltonian is obtained by projecting the p-d model to an asymmetric Hubbard model with the lower Hubbard subband occupied by one-hole Cu d-like states and the upper Hubbard subband occupied by two-hole p-d singlet states. The model requires two microscopical parameters only, the p-d hybridization parameter t and the charge-transfer gap Δ. It was previously shown to secure an appropriate description of the normal state properties of the high -T c cuprates. To treat rigorously the strong correlations, the Hubbard operator technique within the projection method for the Green function is used. The Dyson equation is derived. In the molecular field approximation, d-wave superconducting pairing of conventional hole (electron) pairs in one Hubbard subband is found, which is mediated by the exchange interaction given by the interband hopping, J ij = 4 (t ij ) 2 / Δ. The normal and anomalous components of the self-energy matrix are calculated in the self-consistent Born approximation for the electron-spin-fluctuation scattering mediated by kinematic interaction of the second order of the intraband hopping. The derived numerical and analytical solutions predict the occurrence of singlet d x 2 -y 2 -wave pairing both in the d-hole and singlet Hubbard subbands. The gap functions and T c are calculated for different hole concentrations. The exchange interaction is shown to be the most important pairing interaction in the Hubbard model in the strong correlation limit, while the spin-fluctuation coupling results only in a moderate enhancement of T c . The smaller weight of the latter comes from two specific features: its vanishing inside the Brillouin zone (BZ) along the lines, |k x | + |k y |=π pointing towards the hot spots and the existence of a small energy shell within which the pairing is effective. By

  10. Ferromagnetic instabilities in disordered systems in the limit of strong correlations

    International Nuclear Information System (INIS)

    Magalhaes, A.N.; Troper, A.; Gomes, A.A.

    1976-05-01

    One derives the criterion for ferromagnetic instabilities in hybridized disordered systems, e.g. transition metal like systems and actinides, within the Coherent Potential Approximation (CPA), the electron-electron correlations being described by Hubbard' approximation. In the case of actinides, one treats approximately the motion of d electrons while the diagonal disorder within the f band is fully taken into account. In the case of a trnsition metal like system, except for Hubbard's approximation in dealing with d-d electron correlations, our procedure is exact within the spirit of CPA

  11. Strongly correlated one-dimensional Bose–Fermi quantum mixtures: symmetry and correlations

    Science.gov (United States)

    Decamp, Jean; Jünemann, Johannes; Albert, Mathias; Rizzi, Matteo; Minguzzi, Anna; Vignolo, Patrizia

    2017-12-01

    We consider multi-component quantum mixtures (bosonic, fermionic, or mixed) with strongly repulsive contact interactions in a one-dimensional harmonic trap. In the limit of infinitely strong repulsion and zero temperature, using the class-sum method, we study the symmetries of the spatial wave function of the mixture. We find that the ground state of the system has the most symmetric spatial wave function allowed by the type of mixture. This provides an example of the generalized Lieb–Mattis theorem. Furthermore, we show that the symmetry properties of the mixture are embedded in the large-momentum tails of the momentum distribution, which we evaluate both at infinite repulsion by an exact solution and at finite interactions using a numerical DMRG approach. This implies that an experimental measurement of the Tan’s contact would allow to unambiguously determine the symmetry of any kind of multi-component mixture.

  12. Microscopic theory of photon-correlation spectroscopy in strong-coupling semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Schneebeli, Lukas

    2009-11-27

    While many quantum-optical phenomena are already well established in the atomic systems, like the photon antibunching, squeezing, Bose-Einstein condensation, teleportation, the quantum-optical investigations in semiconductors are still at their beginning. The fascinating results observed in the atomic systems inspire physicists to demonstrate similar quantum-optical effects also in the semiconductor systems. In contrast to quantum optics with dilute atomic gases, the semiconductors exhibit a complicated many-body problem which is dominated by the Coulomb interaction between the electrons and holes and by coupling with the semiconductor environment. This makes the experimental observation of similar quantum-optical effects in semiconductors demanding. However, there are already experiments which have verified nonclassical effects in semiconductors. In particular, experiments have demonstrated that semiconductor quantum dots (QDs) can exhibit the single-photon emission and generation of polarization-entangled photon pairs. In fact, both atom and QD systems, embedded within a microcavity, have become versatile platforms where one can perform systematic quantum-optics investigations as well as development work toward quantum-information applications. Another interesting field is the strong-coupling regime in which the light-matter coupling exceeds both the decoherence rate of the atom or QD and the cavity resulting in a reversible dynamics between light and matter excitations. In the strong-coupling regime, the Jaynes-Cummings ladder is predicted and shows a photon-number dependent splitting of the new dressed strong-coupling states which are the polariton states of the coupled light-matter system. Although the semiclassical effect of the vacuum Rabi splitting has already been observed in QDs, the verification of the quantum-mechanical Jaynes-Cummings splitting is still missing mainly due to the dephasing. Clearly, the observation of the Jaynes-Cummings ladder in QDs

  13. Simulations of two-dimensional electronic correlation spectra

    International Nuclear Information System (INIS)

    Kim, Hack Jin; Jeon, Seung Joon

    2001-01-01

    Two-dimensional (2D) correlation method, which generates the synchronous and the asynchronous 2D spectrum by complex cross correlation of the Fourier transformed spectra, is an analysis method for the changes of the sample spectrum induced by various perturbations. In the present work, the 2D electronic correlation spectra have been simulated for the cases where the sample spectrum composed of two gaussian bands changes linearly. When only the band amplitudes of the sample spectrum change, the synchronous spectrum shows strong peaks at the band centers of the sample spectrum, but the asynchronous spectrum does not make peaks. When the sample spectrum shifts without changing intensity and width, the synchronous spectrum shows peaks around the initial and final positions of the band maximum and the asynchronous spectrum shows long peaks spanning the shifting range. The band width change produces the complex 2D correlation spectra. When the sample spectrum shifts with band broadening, the width change by 50 % of full width at half maximum (FWHM) does not give so large an effect on the correlation spectrum as the spectral shift by one half of FWHM of the sample spectrum

  14. Supersolidity of lattice bosons immersed in strongly correlated Rydberg dressed atoms

    Science.gov (United States)

    Li, Yongqiang; Geißler, Andreas; Hofstetter, Walter; Li, Weibin

    2018-02-01

    Recent experiments have illustrated that long-range two-body interactions can be induced by laser coupling atoms to highly excited Rydberg states. Stimulated by this achievement, we study the supersolidity of lattice bosons in an experimentally relevant situation. In our setup, we consider two-component atoms on a square lattice, where one species is weakly dressed to an electronically high-lying (Rydberg) state, generating a tunable, soft-core shape long-range interaction. Interactions between atoms of the second species and between the two species are characterized by local inter- and intraspecies interactions. Using a dynamical mean-field calculation, we find that interspecies on-site interactions can stabilize a pronounced region of supersolid phases. This is characterized by two distinctive types of supersolids, where the bare species forms supersolid phases that are immersed in strongly correlated quantum phases, i.e., a crystalline solid or supersolid of the dressed atoms. We show that the interspecies interaction leads to a rotonlike instability in the bare species and therefore is crucially important to the supersolid formation. We provide a detailed calculation of the interaction potential to show how our results can be explored under current experimental conditions.

  15. Wilson loop correlators at strong coupling: from matrices to bubbling geometries

    Science.gov (United States)

    Gomis, Jaume; Matsuura, Shunji; Okuda, Takuya; Trancanelli, Diego

    2008-08-01

    We compute at strong coupling the large N correlation functions of supersymmetric Wilson loops in large representations of the gauge group with local operators of Script N = 4 super Yang-Mills. The gauge theory computation of these correlators is performed using matrix model techniques. We show that the strong coupling correlator of the Wilson loop with the stress tensor computed using the matrix model exactly matches the semiclassical computation of the correlator of the 't Hooft loop with the stress tensor, providing a non-trivial quantitative test of electric-magnetic duality of Script N = 4 super Yang-Mills. We then perform these calculations using the dual bulk gravitational picture, where the Wilson loop is described by a ``bubbling'' geometry. By applying holographic methods to these backgrounds we calculate the Wilson loop correlation functions, finding perfect agreement with our gauge theory results.

  16. Electronic configurations and energies in some thermodynamically correlated laves compounds

    International Nuclear Information System (INIS)

    Campbell, G.M.

    1979-04-01

    The known electronic configurations of simple elements in Laves compounds are correlated with those of the more complex systems to determine their electronic configurations and gaseous state promotion energies

  17. Role of electron correlation effects in δ-Pu and "115"-Pu-based unconventional superconductors

    Czech Academy of Sciences Publication Activity Database

    Shick, Alexander; Kolorenč, Jindřich

    2014-01-01

    Roč. 15, č. 7 (2014), 640-647 ISSN 1631-0705 R&D Projects: GA ČR(CZ) GAP204/10/0330 Institutional support: RVO:68378271 Keywords : electronic structure * strong electron correlations * photoemission * unconventional superconductivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.035, year: 2014

  18. Nonlinear waves from a localized vortex source in strongly correlated fluids

    Science.gov (United States)

    Gupta, Akanksha; Ganesh, Rajaraman; Joy, Ashwin

    2017-11-01

    Highly charged quasi two-dimensional grain medium (complex plasma) is a remarkable test-bed to study wave like phenomena. Understanding of such wave propagation has many important applications in geophysics, petroleum engineering, and mining, earthquakes, and seismology. In the present study, for the first time, the propagation of nonlinear wave which originates from localized coherent vortex source has been studied using molecular dynamics simulation taking Yukawa liquids as a prototype for strongly correlated fluid. In this work, the coupling of transverse and longitudinal mode, effect of azimuthal speed of vortex source on the linear and nonlinear properties of generated wave will be presented as a function of strong correlation.

  19. Correlated electron phenomena in ultra-low disorder quantum wires

    International Nuclear Information System (INIS)

    Reilly, D.J.; Facer, G.R.; Dzurak, A.S.; Kane, B.E.; Clark, R.G.; Lumpkin, N.E.

    1999-01-01

    Full text: Quantum point contacts in the lowest disorder HEMTs display structure at 0.7 x 2e 2 /h, which cannot be interpreted within a single particle Landauer model. This structure has been attributed to a spontaneous spin polarisation at zero B field. We have developed novel GaAs/AlGaAs enhancement mode FETs, which avoid the random impurity potential present in conventional MODFET devices by using epitaxially grown gates to produce ultra-low-disorder QPCs and quantum wires using electron beam lithography. The ballistic mean free path within these devices exceeds 160 μm 2 . Quantum wires of 5 μm in length show up to 15 conductance plateaux, indicating that these may be the lowest-disorder quantum wires fabricated using conventional surface patterning techniques. These structures are ideal for the study of correlation effects in QPCs and quantum wires as a function of electron density. Our data provides strong evidence that correlation effects are enhanced as the length of the 1D region is increased and also that additional structure moves close to 0.5 x 2e 2 /h, the value expected for an ideal spin-split 1D level

  20. Electronic correlations in insulators, metals and superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael Andreas

    2010-12-03

    In this thesis dynamical mean-field methods in combination with a continuous-time quantum Monte Carlo impurity solver are used to study selected open problems of condensed matter theory. These problems comprise the effect of correlations and their quantification in covalent band insulators, non-local correlation effects and their intriguing consequences in frustrated two-dimensional systems, and a phenomenological approach to investigate temperature-dependent transport in graphene in the presence of disorder. (orig.)

  1. Electronic correlations in insulators, metals and superconductors

    International Nuclear Information System (INIS)

    Sentef, Michael Andreas

    2010-01-01

    In this thesis dynamical mean-field methods in combination with a continuous-time quantum Monte Carlo impurity solver are used to study selected open problems of condensed matter theory. These problems comprise the effect of correlations and their quantification in covalent band insulators, non-local correlation effects and their intriguing consequences in frustrated two-dimensional systems, and a phenomenological approach to investigate temperature-dependent transport in graphene in the presence of disorder. (orig.)

  2. Various scenarios of metal-insulator transition in strongly correlated materials

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Anisimov, V.I.

    2011-01-01

    Roč. 523, 8-9 (2011), 682-688 ISSN 0003-3804 R&D Projects: GA ČR GAP204/10/0284 Institutional research plan: CEZ:AV0Z10100521 Keywords : electronic correlations * metal-insulator transition * dynamical mean-field theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.841, year: 2011

  3. Communication: Thermodynamics of condensed matter with strong pressure-energy correlations

    DEFF Research Database (Denmark)

    Ingebrigtsen, Trond; Bøhling, Lasse; Schrøder, Thomas

    2012-01-01

    in the phase diagram of invariant structure and dynamics) are described by h(ρ)/T = Const., (2) the density-scaling exponent is a function of density only, and (3) a Grüneisen-type equation of state applies for the configurational degrees of freedom. For strongly correlating atomic systems one has h(ρ) = ∑n...

  4. The Role of screening in the strongly correlated 2D systems

    CERN Document Server

    Hwang, E H

    2003-01-01

    We investigate recently observed experiments in the strongly correlated 2D systems (r sub s >> 1) (low-density 2D plasmons, metallic behaviour of 2D systems and frictional drag resistivity between two 2D hole layers). We compare them with our theoretical results calculated within a conventional Fermi liquid theory with RPA screening.

  5. Importance of strong-correlation on the lattice dynamics of light-actinides Th-Pa alloy

    Science.gov (United States)

    de La Peã+/-A Seaman, Omar; Heid, Rolf; Bohnen, Klaus-Peter

    We have studied the structural, electronic, and lattice dynamics of the Th1-xPax actinide alloy. This system have been analyzed within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the virtual crystal approximation (VCA) for modeling the alloy. In particular, the energetics is analyzed as the ground-state crystal structure is changed form fcc to bct, as well as the electronic density of states (DOS), and the phonon frequencies. Such properties have been calculated with and without strong correlations effects through the LDA+U formalism. Although the strong-correlation does not influence on a great manner the Th properties, such effects are more important as the content increases towards Pa, affecting even the definition of the ground-state crystal structure for Pa (experimentally determined as bct). The evolution of the density of states at the Fermi level (N (EF)) and the phonon frequencies as a function of Pa-content are presented and discussed in detail, aiming to understand their influence on the electron-phonon coupling for the Th-Pa alloy. This research was supported by Conacyt-México under project No. CB2013-221807-F.

  6. Strongly anisotropic spin-orbit splitting in a two-dimensional electron gas

    DEFF Research Database (Denmark)

    Michiardi, Matteo; Bianchi, Marco; Dendzik, Maciej

    2015-01-01

    Near-surface two-dimensional electron gases on the topological insulator Bi$_2$Te$_2$Se are induced by electron doping and studied by angle-resolved photoemission spectroscopy. A pronounced spin-orbit splitting is observed for these states. The $k$-dependent splitting is strongly anisotropic...

  7. Limiting and Fedosov's Currents of a Strongly Magnetized Electron Beam in Asymmetric Transportation Channels

    Science.gov (United States)

    Goikhman, M. B.; Gromov, A. V.; Kovalev, N. F.; V. Palitsin, A.

    2016-12-01

    We consider the properties of thin-walled, strongly magnetized electron beams in closed evacuated transportation channels with arbitrary cross sections of the channel and the electron beam. Explicit precise formulas are obtained for the limiting and Fedosov's currents of such electron beams. The found relationships allow one to explain many observed phenomena and can serve as a basis for verification of the results of more complicated calculations.

  8. Electron correlations in the k-dependent electronic structure of metallic V2O3

    Science.gov (United States)

    Krupin, O.; Denlinger, J. D.; Kim, B. J.; Allen, J. W.; Metcalf, P.

    2010-03-01

    Both the insulator and metal phases of vanadium sesquioxide serve as paradigms of strongly correlated electron physics. The metallic state displays an incoherent lower Hubbard band and a coherent quasiparticle (QP) peak near the Fermi level. Employing angular-resolved photoemission spectroscopy we are making the first studies of the behavior of the QP band in energy-momentum space. Here we report on electron mass renormalization near the Fermi level, and higher energy kink and ``waterfall'' features such as have been reported for different families of superconducting cuprates. Owing to a variety of coexisting interactions the precise origin of these features remains controversial and is presently actively discussed in the literature. Observation of these features in a paradigm system broadens the basis for discussing and assessing various suggested scenarios.

  9. Strongly correlated photons generated by coupling a three- or four-level system to a waveguide

    Science.gov (United States)

    Zheng, Huaixiu; Gauthier, Daniel J.; Baranger, Harold U.

    2012-04-01

    We study the generation of strongly correlated photons by coupling an atom to photonic quantum fields in a one-dimensional waveguide. Specifically, we consider a three-level or four-level system for the atom. Photon-photon bound states emerge as a manifestation of the strong photon-photon correlation mediated by the atom. Effective repulsive or attractive interaction between photons can be produced, causing either suppressed multiphoton transmission (photon blockade) or enhanced multiphoton transmission (photon-induced tunneling). As a result, nonclassical light sources can be generated on demand by sending coherent states into the proposed system. We calculate the second-order correlation function of the transmitted field and observe bunching and antibunching caused by the bound states. Furthermore, we demonstrate that the proposed system can produce photon pairs with a high degree of spectral entanglement, which have a large capacity for carrying information and are important for large-alphabet quantum communication.

  10. Near-infrared branding efficiently correlates light and electron microscopy.

    Science.gov (United States)

    Bishop, Derron; Nikić, Ivana; Brinkoetter, Mary; Knecht, Sharmon; Potz, Stephanie; Kerschensteiner, Martin; Misgeld, Thomas

    2011-06-05

    The correlation of light and electron microscopy of complex tissues remains a major challenge. Here we report near-infrared branding (NIRB), which facilitates such correlation by using a pulsed, near-infrared laser to create defined fiducial marks in three dimensions in fixed tissue. As these marks are fluorescent and can be photo-oxidized to generate electron contrast, they can guide re-identification of previously imaged structures as small as dendritic spines by electron microscopy.

  11. Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering

    Science.gov (United States)

    Walt, Samuel G.; Bhargava Ram, Niraghatam; Atala, Marcos; Shvetsov-Shilovski, Nikolay I; von Conta, Aaron; Baykusheva, Denitsa; Lein, Manfred; Wörner, Hans Jakob

    2017-01-01

    Strong-field photoelectron holography and laser-induced electron diffraction (LIED) are two powerful emerging methods for probing the ultrafast dynamics of molecules. However, both of them have remained restricted to static systems and to nuclear dynamics induced by strong-field ionization. Here we extend these promising methods to image purely electronic valence-shell dynamics in molecules using photoelectron holography. In the same experiment, we use LIED and photoelectron holography simultaneously, to observe coupled electronic-rotational dynamics taking place on similar timescales. These results offer perspectives for imaging ultrafast dynamics of molecules on femtosecond to attosecond timescales. PMID:28643771

  12. Correlated electronic structure of CeN

    Energy Technology Data Exchange (ETDEWEB)

    Panda, S.K., E-mail: swarup.panda@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Di Marco, I. [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Delin, A. [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); KTH Royal Institute of Technology, School of Information and Communication Technology, Department of Materials and Nano Physics, Electrum 229, SE-164 40 Kista (Sweden); KTH Royal Institute of Technology, Swedish e-Science Research Center (SeRC), SE-100 44 Stockholm (Sweden); Eriksson, O., E-mail: olle.eriksson@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden)

    2016-04-15

    Highlights: • The electronic structure of CeN is studied within the GGA+DMFT approach using SPTF and Hubbard I approximation. • 4f spectral functions from SPTF and Hubbard I are coupled to explain the various spectroscopic manifestations of CeN. • The calculated XPS and BIS spectra show good agreement with the corresponding experimental spectra. • The contribution of the various l-states and the importance of cross-sections for the photoemission process are analyzed. - Abstract: We have studied in detail the electronic structure of CeN including spin orbit coupling (SOC) and electron–electron interaction, within the dynamical mean-field theory combined with density-functional theory in generalized gradient approximation (GGA+DMFT). The effective impurity problem has been solved through the spin-polarized T-matrix fluctuation-exchange (SPTF) solver and the Hubbard I approximation (HIA). The calculated l-projected atomic partial densities of states and the converged potential were used to obtain the X-ray-photoemission-spectra (XPS) and Bremstrahlung Isochromat spectra (BIS). Following the spirit of Gunnarsson–Schonhammer model, we have coupled the SPTF and HIA 4f spectral functions to explain the various spectroscopic manifestations of CeN. Our computed spectra in such a coupled scheme explain the experimental data remarkably well, establishing the validity of our theoretical model in analyzing the electronic structure of CeN. The contribution of the various l-states in the total spectra and the importance of cross sections are also analyzed in detail.

  13. Observation of the Avalanche of Runaway Electrons in Air in a Strong Electric Field

    Science.gov (United States)

    Gurevich, A. V.; Mesyats, G. A.; Zybin, K. P.; Yalandin, M. I.; Reutova, A. G.; Shpak, V. G.; Shunailov, S. A.

    2012-08-01

    The generation of an avalanche of runaway electrons is demonstrated for the first time in a laboratory experiment. Two flows of runaway electrons are formed sequentially in an extended air discharge gap at the stage of delay of a pulsed breakdown. The first, picosecond, runaway electron flow is emitted in the cathode region where the field is enhanced. Being accelerated in the gap, this beam generates electrons due to impact ionization. These secondary electrons form a delayed avalanche of runaway electrons if the field is strong enough. The properties of the avalanche correspond to the existing notions about the runaway breakdown in air. The measured current of the avalanche exceeds up to an order the current of the initiating electron beam.

  14. Density-dependent electron scattering in photoexcited GaAs in strongly diffusive regime

    DEFF Research Database (Denmark)

    Mics, Zoltán; D’Angio, Andrea; Jensen, Søren A.

    2013-01-01

    In a series of systematic optical pump–terahertz probe experiments, we study the density-dependent electron scattering rate in photoexcited GaAs in the regime of strong carrier diffusion. The terahertz frequency-resolved transient sheet conductivity spectra are perfectly described by the Drude...... model, directly yielding the electron scattering rates. A diffusion model is applied to determine the spatial extent of the photoexcited electron-hole gas at each moment after photoexcitation, yielding the time-dependent electron density, and hence the density-dependent electron scattering time. We find...... that the electron scattering time decreases from 320 to 60 fs, as the electron density changes from 1015 to 1019 cm−3....

  15. Effects of Structural Correlations on Electronic Properties

    International Nuclear Information System (INIS)

    Pastawski, H.M.; Weisz, J.F.

    1984-01-01

    A one dimensional alloy model is treated in the nearest neighbour tight binding approximation in which the correlation of the atoms can be adjusted. The correlation can be changed from a situation in which there is a tendency for atoms to alternate to a situation in which the atoms are randomly located, consistent with a fixed concentration c for A c B 1-c . The results show that when there is short range order, at certain energies there is a tendency for localized states and formation of structure induced minimum in the density of states. The results for the ordered case are similar to those of Charge Density Wave (CDW). A smooth transition is carried out between this case and the randomly disordered case which behaves like the Anderson model for uncorrelated disorder. (M.W.O.) [pt

  16. Energy deposition of heavy ions in the regime of strong beam-plasma correlations.

    Science.gov (United States)

    Gericke, D O; Schlanges, M

    2003-03-01

    The energy loss of highly charged ions in dense plasmas is investigated. The applied model includes strong beam-plasma correlation via a quantum T-matrix treatment of the cross sections. Dynamic screening effects are modeled by using a Debye-like potential with a velocity dependent screening length that guarantees the known low and high beam velocity limits. It is shown that this phenomenological model is in good agreement with simulation data up to very high beam-plasma coupling. An analysis of the stopping process shows considerably longer ranges and a less localized energy deposition if strong coupling is treated properly.

  17. Thermal Phase Transitions of Strongly Correlated Bosons with Spin-Orbit Coupling

    Science.gov (United States)

    Hickey, Ciarán; Paramekanti, Arun

    2014-12-01

    Experiments on ultracold atoms have started to explore lattice effects and thermal fluctuations for two-component bosons with spin-orbit coupling (SOC). Motivated by this, we derive and study a t J model for lattice bosons with equal Rashba-Dresselhaus SOC and strong Hubbard repulsion in a uniform Zeeman magnetic field. Using the Gutzwiller ansatz, we find strongly correlated ground states with stripe superfluid (SF) order. We formulate a finite temperature generalization of the Gutzwiller method, and show that thermal fluctuations in the doped Mott insulator drive a two-step melting of the stripe SF, revealing a wide regime of a stripe normal fluid.

  18. Relativistic quantum dynamics in strong fields: Photon emission from heavy, few-electron ions

    International Nuclear Information System (INIS)

    Fritzsche, S.; Stoehlker, T.

    2005-03-01

    Recent progress in the study of the photon emission from highly-charged heavy ions is reviewed. These investigations show that high-Z ions provide a unique tool for improving the understanding of the electron-electron and electron-photon interaction in the presence of strong fields. Apart from the bound-state transitions, which are accurately described in the framework of quantum electrodynamics, much information has been obtained also from the radiative capture of (quasi-) free electrons by high-Z ions. Many features in the observed spectra hereby confirm the inherently relativistic behavior of even the simplest compound quantum systems in nature. (orig.)

  19. Quantum correlations responsible for remote state creation: strong and weak control parameters

    Science.gov (United States)

    Doronin, S. I.; Zenchuk, A. I.

    2017-03-01

    We study the quantum correlations between the two remote qubits (sender and receiver) connected by the transmission line (homogeneous spin-1/2 chain) depending on the parameters of the sender's and receiver's initial states (control parameters). We consider two different measures of quantum correlations: the entanglement (a traditional measure) and the informational correlation (based on the parameter exchange between the sender and receiver). We find the domain in the control parameter space yielding (i) zero entanglement between the sender and receiver during the whole evolution period and (ii) non-vanishing informational correlation between the sender and receiver, thus showing that the informational correlation is responsible for the remote state creation. Among the control parameters, there are the strong parameters (which strongly effect the values of studied measures) and the weak ones (whose effect is negligible), therewith the eigenvalues of the initial state are given a privileged role. We also show that the problem of small entanglement (concurrence) in quantum information processing is similar (in certain sense) to the problem of small determinants in linear algebra. A particular model of 40-node spin-1/2 communication line is presented.

  20. Advanced cluster methods for correlated-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Andre

    2015-04-27

    In this thesis, quantum cluster methods are used to calculate electronic properties of correlated-electron systems. A special focus lies in the determination of the ground state properties of a 3/4 filled triangular lattice within the one-band Hubbard model. At this filling, the electronic density of states exhibits a so-called van Hove singularity and the Fermi surface becomes perfectly nested, causing an instability towards a variety of spin-density-wave (SDW) and superconducting states. While chiral d+id-wave superconductivity has been proposed as the ground state in the weak coupling limit, the situation towards strong interactions is unclear. Additionally, quantum cluster methods are used here to investigate the interplay of Coulomb interactions and symmetry-breaking mechanisms within the nematic phase of iron-pnictide superconductors. The transition from a tetragonal to an orthorhombic phase is accompanied by a significant change in electronic properties, while long-range magnetic order is not established yet. The driving force of this transition may not only be phonons but also magnetic or orbital fluctuations. The signatures of these scenarios are studied with quantum cluster methods to identify the most important effects. Here, cluster perturbation theory (CPT) and its variational extention, the variational cluster approach (VCA) are used to treat the respective systems on a level beyond mean-field theory. Short-range correlations are incorporated numerically exactly by exact diagonalization (ED). In the VCA, long-range interactions are included by variational optimization of a fictitious symmetry-breaking field based on a self-energy functional approach. Due to limitations of ED, cluster sizes are limited to a small number of degrees of freedom. For the 3/4 filled triangular lattice, the VCA is performed for different cluster symmetries. A strong symmetry dependence and finite-size effects make a comparison of the results from different clusters difficult

  1. Attosecond dynamics of electron correlation in doubly excited atomic states

    Energy Technology Data Exchange (ETDEWEB)

    Nicolaides, Cleanthes A. [Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens (Greece) and Physics Department, National Technical University, Athens (Greece)). E-mail: can@eie.gr] Mercouris, Theodoros; Komninos, Yanis [Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens (Greece)]. E-mails: thmerc@eie.gr; ykomn@eie.gr

    2002-06-28

    We have solved the time-dependent Schroedinger equation describing the simultaneous interaction of the He 1s2s {sup 1}S state with two laser-generated pulses of trapezoidal or Gaussian shape, of duration 86 fs and of frequencies {omega}{sub 1}=1.453 au and {omega}{sub 2}=1.781 au. The system is excited to the energy region of two strongly correlated doubly excited states, chosen for this study according to specific criteria. It is demonstrated quantitatively that, provided one focuses on the dynamics occurring within the attosecond timescale, the corresponding orbital configurations, 2s2p and 2p3d {sup 1}P{sup 0}, exist as nonstationary states, with occupation probabilities that are oscillating as the states decay exponentially into the 1s{epsilon}p continuum, during and after the laser-atom interaction. It follows that it is feasible to probe by attosecond pulses the motion of configurations of electrons as they correlate via the total Hamiltonian. For the particular system studied here, the probe pulses could register the oscillating doubly excited configurations by de-exciting to the He 1s3d {sup 1}D state, which emits at 6680 A. (author). Letter-to-the-editor.

  2. Probing spin correlations with phonons in the strongly frustrated magnet ZnCr2O4.

    Science.gov (United States)

    Sushkov, A B; Tchernyshyov, O; Ratcliff, W; Cheong, S W; Drew, H D

    2005-04-08

    The spin-lattice coupling plays an important role in strongly frustrated magnets. In ZnCr2O4, an excellent realization of the Heisenberg antiferromagnet on the pyrochlore network, a lattice distortion relieves the geometrical frustration through a spin-Peierls-like phase transition at T(c)=12.5 K. Conversely, spin correlations strongly influence the elastic properties of a frustrated magnet. By using infrared spectroscopy and published data on magnetic specific heat, we demonstrate that the frequency of an optical phonon triplet in ZnCr2O4 tracks the nearest-neighbor spin correlations above T(c). The splitting of the phonon triplet below T(c) provides a way to measure the spin-Peierls order parameter.

  3. Effects of Strong Correlations on the Disorder-Induced Zero Bias Anomaly

    Science.gov (United States)

    Atkinson, William; Song, Yun; Bulut, Sinan; Wortis, Rachel

    2009-03-01

    In conventional metals and semiconductors, density of states anomalies result from the interplay between disorder and interactions. Motivated by a number of experiments that find zero bias anomalies (ZBA) in transition metal oxides, we have performed calculations to determine the effect of strong correlations on the ZBA in disordered interacting systems. We use a self-consistent mean-field theory that incorporates strong correlations and treats spatial fluctuations of the disorder potential exactly. We discuss both the Anderson-Hubbard model and the extended Anderson-Hubbard model. We find that, even for a zero-range interaction, nonlocal self-energy corrections lead to the formation of an Altshuler-Aronov-like ZBA. In the extended Anderson-Hubbard model, Efros-Shklovskii-like physics dominates at large disorder.

  4. Theory of atoms in strong, pulsed electromagnetic fields: 2, A free electron and a harmonically bound electron

    International Nuclear Information System (INIS)

    Multiple scale methods are used to treat several ingredients of the theory of atoms in strong electromagnetic fields. First, a focused electromagnetic field is expanded. Second, a classical electron is described giving the ponderomotive potential. Third, the quantum electron is treated in the WKB approximation. Fourth, the one dimensional quantum harmonic oscillator is solved; and last the one dimensional square well, showing the low intensity limit of the theory

  5. High plasma triglyceride levels strongly correlate with low kisspeptin in the arcuate nucleus of male rats

    DEFF Research Database (Denmark)

    Overgaard, A; Axel, A M; Lie, M E

    2015-01-01

    OBJECTIVE: It is well known that reproductive capacity is lower in obese individuals, but what mediators and signals are involved is unclear. Kisspeptin is a potent stimulator of GnRH release, and it has been suggested that kisspeptin neurons located in the arcuate nucleus transmit metabolic...... signals to the GnRH neurons. METHODS: In this study, we measured body weight and plasma concentrations of leptin, insulin, testosterone, and triglycerides after high fat diet exposure and correlated these parameters with the number of kisspeptin-immunoreactive neurons in the arcuate nucleus of male rats...... with increased fat in the diet. Kisspeptin-immunoreactive cells are not correlated with body weight, testosterone, leptin or insulin. However, we find that the number of kisspeptin-immunoreactive cells is strongly and negatively correlated with the level of plasma triglycerides (R2=0.49, p=0.004). CONCLUSION: We...

  6. The Fisher-Shannon information plane, an electron correlation tool.

    Science.gov (United States)

    Romera, E; Dehesa, J S

    2004-05-15

    A new correlation measure, the product of the Shannon entropy power and the Fisher information of the electron density, is introduced by analyzing the Fisher-Shannon information plane of some two-electron systems (He-like ions, Hooke's atoms). The uncertainty and scaling properties of this information product are pointed out. In addition, the Fisher and Shannon measures of a finite many-electron system are shown to be bounded by the corresponding single-electron measures and the number of electrons of the system.

  7. Layered Black Phosphorus: Strongly Anisotropic Magnetic, Electronic, and Electron-Transfer Properties.

    Science.gov (United States)

    Sofer, Zdeněk; Sedmidubský, David; Huber, Štěpán; Luxa, Jan; Bouša, Daniel; Boothroyd, Chris; Pumera, Martin

    2016-03-01

    Layered elemental materials, such as black phosphorus, exhibit unique properties originating from their highly anisotropic layered structure. The results presented herein demonstrate an anomalous anisotropy for the electrical, magnetic, and electrochemical properties of black phosphorus. It is shown that heterogeneous electron transfer from black phosphorus to outer- and inner-sphere molecular probes is highly anisotropic. The electron-transfer rates differ at the basal and edge planes. These unusual properties were interpreted by means of calculations, manifesting the metallic character of the edge planes as compared to the semiconducting properties of the basal plane. This indicates that black phosphorus belongs to a group of materials known as topological insulators. Consequently, these effects render the magnetic properties highly anisotropic, as both diamagnetic and paramagnetic behavior can be observed depending on the orientation in the magnetic field. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Hybrid exchange-correlation energy functionals for strongly correlated electrons. Applications to transition-metal monoxides

    Czech Academy of Sciences Publication Activity Database

    Tran, F.; Blaha, P.; Schwarz, K.; Novák, Pavel

    2006-01-01

    Roč. 74, č. 15 (2006), 155108/1-155108/10 ISSN 1098-0121 R&D Projects: GA AV ČR(CZ) IAA1010214 EU Projects: European Commission(XE) HPRN-CT-2002-00293 - SCOOTMO Grant - others:Austrian Science Fondation(AT) AURORA project SFB011 Institutional research plan: CEZ:AV0Z10100521 Keywords : density functional theory * hybrid functional * transition metal monoxides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.107, year: 2006

  9. Correlative light and electron microscopy : strategies and applications

    NARCIS (Netherlands)

    Driel, Linda Francina van

    2011-01-01

    Correlative light and electron microscopy (CLEM) refers to the observation of the same structures or ultrastructures with both light microscopy (LM) and electron microscopy (EM). LM provides an overview of the studied material, and enables the quick localization of structures that are fluorescently

  10. Attosecond-correlated dynamics of two electrons in argon

    Indian Academy of Sciences (India)

    2014-01-11

    Jan 11, 2014 ... physics pp. 79–85. Attosecond-correlated dynamics of two electrons in argon. V SHARMA1,∗. , N CAMUS2, B FISCHER2, M KREMER2, ... Furthermore, a meaningful recipe for experimentally tracing the time of two elec- trons in .... tions we define the ionization time difference between the two electrons.

  11. Numerical Detector Theory for the Longitudinal Momentum Distribution of the Electron in Strong Field Ionization

    Science.gov (United States)

    Tian, Justin; Wang, Xu; Eberly, J. H.

    2017-05-01

    The lack of analytical solutions for the exit momentum in the laser-driven tunneling theory is a well-recognized problem in strong field physics. Theoretical studies of electron momentum distributions in the neighborhood of the tunneling exit depend heavily on ad hoc assumptions. In this Letter, we apply a new numerical method to study the exiting electron's longitudinal momentum distribution under intense short-pulse laser excitation. We present the first realizations of the dynamic behavior of an electron near the so-called tunneling exit region without adopting a tunneling approximation.

  12. Enhanced hot-electron production and strong-shock generation in hydrogen-rich ablators for shock ignition

    Science.gov (United States)

    Theobald, W.; Bose, A.; Yan, R.; Betti, R.; Lafon, M.; Mangino, D.; Christopherson, A. R.; Stoeckl, C.; Seka, W.; Shang, W.; Michel, D. T.; Ren, C.; Nora, R. C.; Casner, A.; Peebles, J.; Beg, F. N.; Ribeyre, X.; Llor Aisa, E.; Colaïtis, A.; Tikhonchuk, V.; Wei, M. S.

    2017-12-01

    Experiments were performed with CH, Be, C, and SiO2 ablators interacting with high-intensity UV laser radiation (5 × 1015 W/cm2, λ = 351 nm) to determine the optimum material for hot-electron production and strong-shock generation. Significantly more hot electrons are produced in CH (up to ˜13% instantaneous conversion efficiency), while the amount is a factor of ˜2 to 3 lower in the other ablators. A larger hot-electron fraction is correlated with a higher effective ablation pressure. The higher conversion efficiency in CH is attributed to stronger damping of ion-acoustic waves because of the presence of light H ions.

  13. Electron cyclotron maser instability (ECMI in strong magnetic guide field reconnection

    Directory of Open Access Journals (Sweden)

    R. A. Treumann

    2017-08-01

    Full Text Available The ECMI model of electromagnetic radiation from electron holes is shown to be applicable to spontaneous magnetic reconnection. We apply it to reconnection in strong current-aligned magnetic guide fields. Such guide fields participate only passively in reconnection, which occurs in the antiparallel components to both sides of the guide-field-aligned current sheets with current carried by kinetic Alfvén waves. Reconnection generates long (the order of hundreds of electron inertial scales electron exhaust regions at the reconnection site X point, which are extended perpendicular to the current and the guide fields. Exhausts contain a strongly density-depleted hot electron component and have properties similar to electron holes. Exhaust electron momentum space distributions are highly deformed, exhibiting steep gradients transverse to both the reconnecting and guide fields. Such properties suggest application of the ECMI mechanism with the fundamental ECMI X-mode emission beneath the nonrelativistic guide field cyclotron frequency in localized source regions. An outline of the mechanism and its prospects is given. Potential applications are the kilometric radiation (AKR in auroral physics, solar radio emissions during flares, planetary emissions and astrophysical scenarios (radiation from stars and compact objects involving the presence of strong magnetic fields and field-aligned currents. Drift of the exhausts along the guide field maps the local field and plasma properties. Escape of radiation from the exhaust and radiation source region still poses a problem. The mechanism can be studied in 2-D particle simulations of strong guide field reconnection which favours 2-D, mapping the deformation of the electron distribution perpendicular to the guide field, and using it in the numerical calculation of the ECMI growth rate. The mechanism suggests also that reconnection in general may become a source of the ECMI with or without guide fields. This is

  14. Electron cyclotron maser instability (ECMI) in strong magnetic guide field reconnection

    Science.gov (United States)

    Treumann, Rudolf A.; Baumjohann, Wolfgang

    2017-08-01

    The ECMI model of electromagnetic radiation from electron holes is shown to be applicable to spontaneous magnetic reconnection. We apply it to reconnection in strong current-aligned magnetic guide fields. Such guide fields participate only passively in reconnection, which occurs in the antiparallel components to both sides of the guide-field-aligned current sheets with current carried by kinetic Alfvén waves. Reconnection generates long (the order of hundreds of electron inertial scales) electron exhaust regions at the reconnection site X point, which are extended perpendicular to the current and the guide fields. Exhausts contain a strongly density-depleted hot electron component and have properties similar to electron holes. Exhaust electron momentum space distributions are highly deformed, exhibiting steep gradients transverse to both the reconnecting and guide fields. Such properties suggest application of the ECMI mechanism with the fundamental ECMI X-mode emission beneath the nonrelativistic guide field cyclotron frequency in localized source regions. An outline of the mechanism and its prospects is given. Potential applications are the kilometric radiation (AKR) in auroral physics, solar radio emissions during flares, planetary emissions and astrophysical scenarios (radiation from stars and compact objects) involving the presence of strong magnetic fields and field-aligned currents. Drift of the exhausts along the guide field maps the local field and plasma properties. Escape of radiation from the exhaust and radiation source region still poses a problem. The mechanism can be studied in 2-D particle simulations of strong guide field reconnection which favours 2-D, mapping the deformation of the electron distribution perpendicular to the guide field, and using it in the numerical calculation of the ECMI growth rate. The mechanism suggests also that reconnection in general may become a source of the ECMI with or without guide fields. This is of particular

  15. [Theoretical studies of dynamics and correlations in heavy electron materials:]: Progress report, August 15, 1987-August 15, 1988

    International Nuclear Information System (INIS)

    1988-01-01

    This paper discusses progress in heavy electron research and high temperature superconductivity research. Particular topics discussed are: quadrupolar Kondo effect; coherence in the Anderson Lattice; Hall effect in heavy electron systems, suppression of supeconductivity by disorder in strongly correlated electronic materials; and charge transfer mechanisms for high temperature superconductivity

  16. Density functional theory for strongly-interacting electrons: Perspectives for Physics and Chemistry

    NARCIS (Netherlands)

    Gori Giorgi, P.; Seidl, M.

    2010-01-01

    Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three years, the mathematical structure of the strong-interaction

  17. On the phase-correlation and phase-fluctuation dynamics of a strongly excited Bose gas

    Energy Technology Data Exchange (ETDEWEB)

    Sakhel, Roger R., E-mail: rogersakhel@yahoo.com [Department of Basic Sciences, Faculty of Information Technology, Isra University, Amman 11622 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Sakhel, Asaad R. [Department of Applied Sciences, Faculty of Engineering Technology, Balqa Applied University, Amman 11134 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Ghassib, Humam B. [Department of Physics, The University of Jordan, Amman 11942 (Jordan)

    2015-12-01

    The dynamics of a Bose–Einstein condensate (BEC) is explored in the wake of a violent excitation caused by a strong time-dependent deformation of a trapping potential under the action of an intense stirring laser. The system is a two-dimensional BEC confined to a power-law trap with hard-wall boundaries. The stirring agent is a moving red-detuned laser potential. The time-dependent Gross–Pitaevskii equation is solved numerically by the split-step Crank–Nicolson method in real time. The phase correlations and phase fluctuations are examined as functions of time to demonstrate the evolving properties of a strongly-excited BEC. Of special significance is the occurrence of spatial fluctuations while the condensate is being excited. These oscillations arise from stirrer-induced density fluctuations. While the stirrer is inside the trap, a reduction in phase coherence occurs, which is attributed to phase fluctuations.

  18. Strong Expression of Chemokine Receptor CXCR4 by Renal Cell Carcinoma Correlates with Advanced Disease

    Directory of Open Access Journals (Sweden)

    Thomas C. Wehler

    2008-01-01

    Full Text Available Diverse chemokines and their receptors have been associated with tumor growth, tumor dissemination, and local immune escape. In different tumor entities, the level of chemokine receptor CXCR4 expression has been linked with tumor progression and decreased survival. The aim of this study was to evaluate the influence of CXCR4 expression on the progression of human renal cell carcinoma. CXCR4 expression of renal cell carcinoma was assessed by immunohistochemistry in 113 patients. Intensity of CXCR4 expression was correlated with both tumor and patient characteristics. Human renal cell carcinoma revealed variable intensities of CXCR4 expression. Strong CXCR4 expression of renal cell carcinoma was significantly associated with advanced T-status (P=.039, tumor dedifferentiation (P = .0005, and low hemoglobin (P = .039. In summary, strong CXCR4 expression was significantly associated with advanced dedifferentiated renal cell carcinoma.

  19. Strong coupling operation of a free-electron-laser amplifier with an axial magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Rullier, J.L.; Devin, A.; Gardelle, J.; Labrouche, J.; Le Taillandier, P. [Commissariat a lEnergie Atomique, Boite Postale 2, 33114 Le Barp (France); Donohue, J.T. [Centre dEtudes Nucleaires de Bordeaux-Gradignan, Boite Postale 120, 33175 Gradignan (France)

    1996-03-01

    We present the results of a free-electron-laser (FEL) experiment at 35 GHz, using a strongly relativistic electron beam ({ital T}=1.75 MeV). The electron pulse length is 30 ns full width at half maximum with a peak current of 400 A. The FEL is designed to operate in the high-gain Compton regime, with a negative coupling parameter ({Phi}{lt}0) leading to a strong growth rate. More than 50 MW of rf power in the TE{sub 1}{sub 1} mode (43 dB gain) has been obtained with good reproducibility. The experimental results are in good agreement with predictions made using the three-dimensional stationary simulation code solitude. {copyright} {ital 1996 The American Physical Society.}

  20. Microscopic origin of marginal Fermi-liquid in strongly correlated spin systems

    International Nuclear Information System (INIS)

    Protogenov, A.P.; Ryndyk, D.A.

    1992-08-01

    We consider the consequences of separation of spin and charge degrees of freedom in 2+1D strongly correlated spin systems. Self-consistent spin and charge motions induced by doping in sites of ground and dual lattices form such a spectrum of quasiparticles which together with the dispersionless character of the collective excitation spectrum and the chemical potential pinning in the band centre yield the necessary behavior of charge and spin polarizability to support the theory of marginal liquid formulated by C.M. Varma et al. (Phys. Rev. Lett. 63, 1996 (1989)). (author). 28 refs, 4 figs

  1. Entanglement-enhanced information transfer through strongly correlated systems and its application to optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Yang Song [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, 230026 (China); Bayat, Abolfazl; Bose, Sougato [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2011-08-15

    We show that the inherent entanglement of the ground state of strongly correlated systems can be exploited for both classical and quantum communications. Our strategy is based on a single-qubit rotation that encodes information in the entangled nature of the ground state. In classical communication, our mechanism conveys more than one bit of information in each shot, just as dense coding does, without demanding long-range entanglement. In our scheme for quantum communication, the quality is higher than the widely studied attaching scenarios. Moreover, we propose to implement this way of communication in optical lattices.

  2. Ionization of pyridine: Interplay of orbital relaxation and electron correlation

    Science.gov (United States)

    Trofimov, A. B.; Holland, D. M. P.; Powis, I.; Menzies, R. C.; Potts, A. W.; Karlsson, L.; Gromov, E. V.; Badsyuk, I. L.; Schirmer, J.

    2017-06-01

    The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green's function and the outer-valence Green's function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17-120 eV. The lowest four states of the pyridine radical cation, namely, 2A2(1 a2 -1), 2A1(7 a1 -1), 2B1(2 b1 -1), and 2B2(5 b2 -1), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a1 orbital, which formally represents the nonbonding σ-type nitrogen lone-pair (nσ) orbital. The theoretical work establishes the important roles of the π-system (π-π* excitations) in the screening of the nσ-hole and of the relaxation of the molecular orbitals in the formation of the 7a1(nσ)-1 state. Equilibrium geometric parameters were computed using the MP2 (second-order Møller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained with the continuum

  3. Strong correlation between early stage atherosclerosis and electromechanical coupling of aorta

    Science.gov (United States)

    Liu, X. Y.; Yan, F.; Niu, L. L.; Chen, Q. N.; Zheng, H. R.; Li, J. Y.

    2016-03-01

    Atherosclerosis is the underlying cause of cardiovascular diseases that are responsible for many deaths in the world, and the early diagnosis of atherosclerosis is highly desirable. The existing imaging methods, however, are not capable of detecting the early stage of atherosclerosis development due to their limited spatial resolution. Using piezoresponse force microscopy (PFM), we show that the piezoelectric response of an aortic wall increases as atherosclerosis advances, while the stiffness of the aorta shows a less evident correlation with atherosclerosis. Furthermore, we show that there is strong correlation between the coercive electric field necessary to switch the polarity of the artery and the development of atherosclerosis. Thus by measuring the electromechanical coupling of the aortic wall, it is possible to probe atherosclerosis at the early stage of its development, not only improving the spatial resolution by orders of magnitude, but also providing comprehensive quantitative information on the biomechanical properties of the artery.

  4. Lattice anharmonicity and thermal properties of strongly correlated Fe1- x Co x Si alloys

    Science.gov (United States)

    Povzner, A. A.; Nogovitsyna, T. A.; Filanovich, A. N.

    2015-10-01

    The temperature dependences of the thermal and elastic properties of strongly correlated metal alloys Fe1- x Co x Si ( x = 0.1, 0.3, 0.5) with different atomic chiralities have been calculated in the framework of the self-consistent thermodynamic model taking into account the influence of lattice anharmonicity. The lattice contributions to the heat capacity and thermal expansion coefficient of the alloys have been determined using the experimental data. It has been demonstrated that the invar effect in the thermal expansion of the lattice observed in the magnetically ordered region of Fe0.7Co0.3Si and Fe0.5Co0.5Si is not related to the lattice anharmonicity, even though its appearance correlates with variations in the atomic chirality.

  5. Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis

    Science.gov (United States)

    Juliá-Díaz, Bruno; Graß, Tobias

    2012-03-01

    We provide a Mathematica code for decomposing strongly correlated quantum states described by a first-quantized, analytical wave function into many-body Fock states. Within them, the single-particle occupations refer to the subset of Fock-Darwin functions with no nodes. Such states, commonly appearing in two-dimensional systems subjected to gauge fields, were first discussed in the context of quantum Hall physics and are nowadays very relevant in the field of ultracold quantum gases. As important examples, we explicitly apply our decomposition scheme to the prominent Laughlin and Pfaffian states. This allows for easily calculating the overlap between arbitrary states with these highly correlated test states, and thus provides a useful tool to classify correlated quantum systems. Furthermore, we can directly read off the angular momentum distribution of a state from its decomposition. Finally we make use of our code to calculate the normalization factors for Laughlin's famous quasi-particle/quasi-hole excitations, from which we gain insight into the intriguing fractional behavior of these excitations. Program summaryProgram title: Strongdeco Catalogue identifier: AELA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5475 No. of bytes in distributed program, including test data, etc.: 31 071 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which Mathematica can be installed Operating system: Linux, Windows, Mac Classification: 2.9 Nature of problem: Analysis of strongly correlated quantum states. Solution method: The program makes use of the tools developed in Mathematica to deal with multivariate polynomials to decompose analytical strongly correlated states of bosons

  6. Probing electron correlation and nuclear dynamics in Momentum Space

    Energy Technology Data Exchange (ETDEWEB)

    Deleuze, M S; Hajgato, B; Morini, F; Knippenberg, S, E-mail: michael.deleuze@uhasselt.b [Research Group of Theoretical Chemistry, Department SBG, Hasselt University, Agoralaan, Gebouw D, B3590 Diepenbeek (Belgium)

    2010-02-01

    Orbital imaging experiments employing Electron Momentum Spectroscopy are subject to many complications, such as distorted wave effects, conformational mobility in the electronic ground state, ultra-fast nuclear dynamics in the final state, or a dispersion of the ionization intensity over electronically excited (shake-up) configurations of the cation. The purpose of the present contribution is to illustrate how a proper treatment of these complications enables us to probe in momentum space the consequences of electron correlation and nuclear dynamics in neutral and cationic states.

  7. The ALPS project release 2.0: open source software for strongly correlated systems

    International Nuclear Information System (INIS)

    Bauer, B; Gamper, L; Gukelberger, J; Hehn, A; Isakov, S V; Ma, P N; Mates, P; Carr, L D; Evertz, H G; Feiguin, A; Freire, J; Koop, D; Fuchs, S; Gull, E; Guertler, S; Igarashi, R; Matsuo, H; Parcollet, O; Pawłowski, G; Picon, J D

    2011-01-01

    We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programmers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/

  8. Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory

    International Nuclear Information System (INIS)

    Phillips, Jordan J.; Zgid, Dominika

    2014-01-01

    We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H 32 finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism

  9. Existence of a virtual cathode close to a strongly electron emissive wall in low density plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Tierno, S. P., E-mail: sp.tierno@upm.es; Donoso, J. M.; Domenech-Garret, J. L.; Conde, L. [Department of Applied Physics, E.T.S.I. Aeronáutica y del Espacio. Universidad Politécnica de Madrid, 28040 Madrid (Spain)

    2016-01-15

    The interaction between an electron emissive wall, electrically biased in a plasma, is revisited through a simple fluid model. We search for realistic conditions of the existence of a non-monotonic plasma potential profile with a virtual cathode as it is observed in several experiments. We mainly focus our attention on thermionic emission related to the operation of emissive probes for plasma diagnostics, although most conclusions also apply to other electron emission processes. An extended Bohm criterion is derived involving the ratio between the two different electron densities at the potential minimum and at the background plasma. The model allows a phase-diagram analysis, which confirms the existence of the non-monotonic potential profiles with a virtual cathode. This analysis shows that the formation of the potential well critically depends on the emitted electron current and on the velocity at the sheath edge of cold ions flowing from the bulk plasma. As a consequence, a threshold value of the governing parameter is required, in accordance to the physical nature of the electron emission process. The latter is a threshold wall temperature in the case of thermionic electrons. Experimental evidence supports our numerical calculations of this threshold temperature. Besides this, the potential well becomes deeper with increasing electron emission, retaining a fraction of the released current which limits the extent of the bulk plasma perturbation. This noninvasive property would explain the reliable measurements of plasma potential by using the floating potential method of emissive probes operating in the so-called strong emission regime.

  10. Existence of a virtual cathode close to a strongly electron emissive wall in low density plasmas

    Science.gov (United States)

    Tierno, S. P.; Donoso, J. M.; Domenech-Garret, J. L.; Conde, L.

    2016-01-01

    The interaction between an electron emissive wall, electrically biased in a plasma, is revisited through a simple fluid model. We search for realistic conditions of the existence of a non-monotonic plasma potential profile with a virtual cathode as it is observed in several experiments. We mainly focus our attention on thermionic emission related to the operation of emissive probes for plasma diagnostics, although most conclusions also apply to other electron emission processes. An extended Bohm criterion is derived involving the ratio between the two different electron densities at the potential minimum and at the background plasma. The model allows a phase-diagram analysis, which confirms the existence of the non-monotonic potential profiles with a virtual cathode. This analysis shows that the formation of the potential well critically depends on the emitted electron current and on the velocity at the sheath edge of cold ions flowing from the bulk plasma. As a consequence, a threshold value of the governing parameter is required, in accordance to the physical nature of the electron emission process. The latter is a threshold wall temperature in the case of thermionic electrons. Experimental evidence supports our numerical calculations of this threshold temperature. Besides this, the potential well becomes deeper with increasing electron emission, retaining a fraction of the released current which limits the extent of the bulk plasma perturbation. This noninvasive property would explain the reliable measurements of plasma potential by using the floating potential method of emissive probes operating in the so-called strong emission regime.

  11. High Efficiency Energy Extraction from a Relativistic Electron Beam in a Strongly Tapered Undulator

    Science.gov (United States)

    Sudar, N.; Musumeci, P.; Duris, J.; Gadjev, I.; Polyanskiy, M.; Pogorelsky, I.; Fedurin, M.; Swinson, C.; Kusche, K.; Babzien, M.; Gover, A.

    2016-10-01

    We present results of an experiment where, using a 200 GW CO2 laser seed, a 65 MeV electron beam was decelerated down to 35 MeV in a 54-cm-long strongly tapered helical magnetic undulator, extracting over 30% of the initial electron beam energy to coherent radiation. These results, supported by simulations of the radiation field evolution, demonstrate unparalleled electro-optical conversion efficiencies for a relativistic beam in an undulator field and represent an important step in the development of high peak and average power coherent radiation sources.

  12. Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1973-08-01

    The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

  13. Electron scattering and correlation structure of light nuclei

    International Nuclear Information System (INIS)

    Lodhi, M.A.K.

    1976-01-01

    It has been known for some time that the short-range correlations due to the repulsive part of the nuclear interaction is exhibited in the nuclear form factors as obtained from high energy electron scattering. In this work the harmonic oscillator basis functions are used. The nuclear form factors as obtained from elastic electron scattering are calculated, with Jastrow's technique by means of the cluster expansion of Iwamoto Yamada, in the Born approximation. The correlated wave function is given. The results for nuclear form factors calculated with the wave function are presented for some light nuclei. (Auth.)

  14. Contributed Review: Review of integrated correlative light and electron microscopy

    International Nuclear Information System (INIS)

    Timmermans, F. J.; Otto, C.

    2015-01-01

    New developments in the field of microscopy enable to acquire increasing amounts of information from large sample areas and at an increased resolution. Depending on the nature of the technique, the information may reveal morphological, structural, chemical, and still other sample characteristics. In research fields, such as cell biology and materials science, there is an increasing demand to correlate these individual levels of information and in this way to obtain a better understanding of sample preparation and specific sample properties. To address this need, integrated systems were developed that combine nanometer resolution electron microscopes with optical microscopes, which produce chemically or label specific information through spectroscopy. The complementary information from electron microscopy and light microscopy presents an opportunity to investigate a broad range of sample properties in a correlated fashion. An important part of correlating the differences in information lies in bridging the different resolution and image contrast features. The trend to analyse samples using multiple correlated microscopes has resulted in a new research field. Current research is focused, for instance, on (a) the investigation of samples with nanometer scale distribution of inorganic and organic materials, (b) live cell analysis combined with electron microscopy, and (c) in situ spectroscopic and electron microscopy analysis of catalytic materials, but more areas will benefit from integrated correlative microscopy

  15. Contributed review: Review of integrated correlative light and electron microscopy.

    Science.gov (United States)

    Timmermans, F J; Otto, C

    2015-01-01

    New developments in the field of microscopy enable to acquire increasing amounts of information from large sample areas and at an increased resolution. Depending on the nature of the technique, the information may reveal morphological, structural, chemical, and still other sample characteristics. In research fields, such as cell biology and materials science, there is an increasing demand to correlate these individual levels of information and in this way to obtain a better understanding of sample preparation and specific sample properties. To address this need, integrated systems were developed that combine nanometer resolution electron microscopes with optical microscopes, which produce chemically or label specific information through spectroscopy. The complementary information from electron microscopy and light microscopy presents an opportunity to investigate a broad range of sample properties in a correlated fashion. An important part of correlating the differences in information lies in bridging the different resolution and image contrast features. The trend to analyse samples using multiple correlated microscopes has resulted in a new research field. Current research is focused, for instance, on (a) the investigation of samples with nanometer scale distribution of inorganic and organic materials, (b) live cell analysis combined with electron microscopy, and (c) in situ spectroscopic and electron microscopy analysis of catalytic materials, but more areas will benefit from integrated correlative microscopy.

  16. Dramatic reduction of dimensionality in large biochemical networks owing to strong pair correlations

    Science.gov (United States)

    Dworkin, Michael; Mukherjee, Sayak; Jayaprakash, Ciriyam; Das, Jayajit

    2012-01-01

    Large multi-dimensionality of high-throughput datasets pertaining to cell signalling and gene regulation renders it difficult to extract mechanisms underlying the complex kinetics involving various biochemical compounds (e.g. proteins and lipids). Data-driven models often circumvent this difficulty by using pair correlations of the protein expression levels to produce a small number (fewer than 10) of principal components, each a linear combination of the concentrations, to successfully model how cells respond to different stimuli. However, it is not understood if this reduction is specific to a particular biological system or to nature of the stimuli used in these experiments. We study temporal changes in pair correlations, described by the covariance matrix, between concentrations of different molecular species that evolve following deterministic mass-action kinetics in large biologically relevant reaction networks and show that this dramatic reduction of dimensions (from hundreds to less than five) arises from the strong correlations between different species at any time and is insensitive to the form of the nonlinear interactions, network architecture, and to a wide range of values of rate constants and concentrations. We relate temporal changes in the eigenvalue spectrum of the covariance matrix to low-dimensional, local changes in directions of the system trajectory embedded in much larger dimensions using elementary differential geometry. We illustrate how to extract biologically relevant insights such as identifying significant timescales and groups of correlated chemical species from our analysis. Our work provides for the first time, to our knowledge, a theoretical underpinning for the successful experimental analysis and points to a way to extract mechanisms from large-scale high-throughput datasets. PMID:22378749

  17. Dramatic reduction of dimensionality in large biochemical networks owing to strong pair correlations.

    Science.gov (United States)

    Dworkin, Michael; Mukherjee, Sayak; Jayaprakash, Ciriyam; Das, Jayajit

    2012-08-07

    Large multi-dimensionality of high-throughput datasets pertaining to cell signalling and gene regulation renders it difficult to extract mechanisms underlying the complex kinetics involving various biochemical compounds (e.g. proteins and lipids). Data-driven models often circumvent this difficulty by using pair correlations of the protein expression levels to produce a small number (fewer than 10) of principal components, each a linear combination of the concentrations, to successfully model how cells respond to different stimuli. However, it is not understood if this reduction is specific to a particular biological system or to nature of the stimuli used in these experiments. We study temporal changes in pair correlations, described by the covariance matrix, between concentrations of different molecular species that evolve following deterministic mass-action kinetics in large biologically relevant reaction networks and show that this dramatic reduction of dimensions (from hundreds to less than five) arises from the strong correlations between different species at any time and is insensitive to the form of the nonlinear interactions, network architecture, and to a wide range of values of rate constants and concentrations. We relate temporal changes in the eigenvalue spectrum of the covariance matrix to low-dimensional, local changes in directions of the system trajectory embedded in much larger dimensions using elementary differential geometry. We illustrate how to extract biologically relevant insights such as identifying significant timescales and groups of correlated chemical species from our analysis. Our work provides for the first time, to our knowledge, a theoretical underpinning for the successful experimental analysis and points to a way to extract mechanisms from large-scale high-throughput datasets.

  18. Truncated exponential-rigid-rotor model for strong electron and ion rings

    International Nuclear Information System (INIS)

    Larrabee, D.A.; Lovelace, R.V.; Fleischmann, H.H.

    1979-01-01

    A comprehensive study of exponential-rigid-rotor equilibria for strong electron and ion rings indicates the presence of a sizeable percentage of untrapped particles in all equilibria with aspect-ratios R/a approximately <4. Such aspect-ratios are required in fusion-relevant rings. Significant changes in the equilibria are observed when untrapped particles are excluded by the use of a truncated exponential-rigid-rotor distribution function. (author)

  19. Accounting of inter-electron correlations in the model of mobile electron shells

    International Nuclear Information System (INIS)

    Panov, Yu.D.; Moskvin, A.S.

    2000-01-01

    One studied the basic peculiar features of the model for mobile electron shells for multielectron atom or cluster. One offered a variation technique to take account of the electron correlations where the coordinates of the centre of single-particle atomic orbital served as variation parameters. It enables to interpret dramatically variation of electron density distribution under anisotropic external effect in terms of the limited initial basis. One studied specific correlated states that might make correlation contribution into the orbital current. Paper presents generalization of the typical MO-LCAO pattern with the limited set of single particle functions enabling to take account of additional multipole-multipole interactions in the cluster [ru

  20. Strongly correlated impurity band superconductivity in diamond: X-ray spectroscopic evidence

    Directory of Open Access Journals (Sweden)

    G. Baskaran

    2006-01-01

    Full Text Available In a recent X-ray absorption study in boron doped diamond, Nakamura et al. have seen a well isolated narrow boron impurity band in non-superconducting samples and an additional narrow band at the chemical potential in a superconducting sample. We interpret the beautiful spectra as evidence for upper Hubbard band of a Mott insulating impurity band and an additional metallic 'mid-gap band' of a conducting 'self-doped' Mott insulator. This supports the basic framework of a recent theory of the present author of strongly correlated impurity band superconductivity (impurity band resonating valence bond, IBRVB theory in a template of a wide-gap insulator, with no direct involvement of valence band states.

  1. Collective oscillations of strongly correlated one-dimensional bosons on a lattice.

    Science.gov (United States)

    Rigol, M; Rousseau, V; Scalettar, R T; Singh, R R P

    2005-09-09

    We study the dipole oscillations of strongly correlated 1D bosons, in the hard-core limit, on a lattice, by an exact numerical approach. We show that far from the regime where a Mott insulator appears in the system, damping is always present and increases for larger initial displacements of the trap, causing dramatic changes in the momentum distribution, n(k). When a Mott insulator sets in the middle of the trap, the center of mass barely moves after an initial displacement, and n(k) remains very similar to the one in the ground state. We also study changes introduced by the damping in the natural orbital occupations, and the revival of the center-of-mass oscillations after long times.

  2. Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, V.R. [Petersburg Nuclear Physics Institute, RAS, Gatchina 188300 (Russian Federation); Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel)], E-mail: vrshag@thd.pnpi.spb.ru; Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Popov, K.G. [Komi Science Center, Ural Division, RAS, Syktyvkar 167982 (Russian Federation)

    2009-06-15

    Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh{sub 2}Si{sub 2}.

  3. Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

    International Nuclear Information System (INIS)

    Shaginyan, V.R.; Amusia, M.Ya.; Popov, K.G.

    2009-01-01

    Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh 2 Si 2 .

  4. Electron correlation and relativity of the 5f electrons in the U-Zr alloy system

    Science.gov (United States)

    Söderlind, P.; Sadigh, B.; Lordi, V.; Landa, A.; Turchi, P. E. A.

    2014-01-01

    We address a recently communicated conception that spin-orbit interaction and strong electron correlations are important for the metal fuel U-Zr system. Here, we show that (i) relativistic effects only marginally correct the uranium metal equation-of-state and (ii) addition of onsite Coulomb repulsion leads to an unphysical magnetic ground state of the body-centered cubic (γ) phase and a grossly overestimated equilibrium volume. Consequently, LSDA + U is deemed unsuitable for describing the electronic structure of the U-Zr system. Recently, Xiong et al. [1] reported on thermodynamic modeling of the U-Zr system motivated by its potential as a nuclear fuel for fast breeder reactors. This work [1] came on the heels of another report by Landa et al. [2] on the same system, but with very different results for the formation enthalpies and ultimate conclusion on the U-Zr phase diagram. The authors [1] argue that their calculated energetics are significantly more accurate than that by Landa et al. [2], and they further attribute the difference to strong electron correlations and the relativistic spin-orbit interaction.In the present letter we show that uranium metal, and thus the U-Zr metal nuclear fuel system, possess weakly correlated electrons that are adequately described within density-functional theory in the generalized gradient approximation, and that addition of onsite Coulomb repulsion using the LSDA + U formalism leads to finite magnetization of the γ phase in contradiction to experiments. Furthermore, we show that spin-orbit interaction is quite weak in uranium metal and that its inclusion will not significantly change the chemical bonding and formation enthalpies.In order to illustrate our arguments, we perform comparative electronic-structure calculations using the full-potential linear augmented plane-wave (FPLAPW) method and the projector augmented plane-wave (PAW) method as implemented in the Wien2K [3] and VASP [4] codes. The Wien2K computations are set

  5. Gain length fitting formula for free-electron lasers with strong space-charge effects

    Directory of Open Access Journals (Sweden)

    G. Marcus

    2011-08-01

    Full Text Available We present a power-fit formula, obtained from a variational analysis using three-dimensional free-electron laser theory, for the gain length of a high-gain free-electron laser’s fundamental mode in the presence of diffraction, uncorrelated energy spread, and longitudinal space-charge effects. The approach is inspired by the work of Xie [Nucl. Instrum. Methods Phys. Res., Sect. A 445, 59 (2000NIMAER0168-900210.1016/S0168-9002(0000114-5], and provides a useful shortcut for calculating the gain length of the fundamental Gaussian mode of a free-electron laser having strong space-charge effects in the 3D regime. The results derived from analytic theory are in good agreement with detailed numerical particle simulations that also include higher-order space-charge effects, supporting the assumptions made in the theoretical treatment and the variational solutions obtained in the single-mode limit.

  6. Characteristics of electron emission from PZT ferroelectric cathode under strong accelerating field

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Yasushi [Department of Energy Sciences, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama (Japan)]. E-mail: hayashi@es.titech.ac.jp; Hotta, Eiki [Department of Energy Sciences, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama (Japan); Flechtner, Donald [High Voltage Laboratory, Cornell University, Ithaca, NY (United States)

    2002-02-07

    We have studied emission characteristics of a PZT ferroelectric cathode under the influence of a strong accelerating field by varying the triggering conditions. The beam current pulse reveals a rising and a steady phase. In the rising phase, the time variation of the beam current is found to be linearly dependent on both the trigger voltage and the diode voltage at the time when the current starts. In the steady phase, field emission characteristics are observed. The results show that the diode voltage is not only accelerating the emitted electrons but also assisting the electron emission from the ferroelectric cathode. An empirical model is proposed and is found to yield a reasonable beam current pulse when the electric field on the surface of the cathode is uniformly distributed. It also provides us with a new possibility to diagnose the emission process of a ferroelectric electron gun. (author)

  7. Respiratory insufficiency correlated strongly with mortality of rodents infected with West Nile virus.

    Directory of Open Access Journals (Sweden)

    John D Morrey

    Full Text Available West Nile virus (WNV disease can be fatal for high-risk patients. Since WNV or its antigens have been identified in multiple anatomical locations of the central nervous system of persons or rodent models, one cannot know where to investigate the actual mechanism of mortality without careful studies in animal models. In this study, depressed respiratory functions measured by plethysmography correlated strongly with mortality. This respiratory distress, as well as reduced oxygen saturation, occurred beginning as early as 4 days before mortality. Affected medullary respiratory control cells may have contributed to the animals' respiratory insufficiency, because WNV antigen staining was present in neurons located in the ventrolateral medulla. Starvation or dehydration would be irrelevant in people, but could cause death in rodents due to lethargy or loss of appetite. Animal experiments were performed to exclude this possibility. Plasma ketones were increased in moribund infected hamsters, but late-stage starvation markers were not apparent. Moreover, daily subcutaneous administration of 5% dextrose in physiological saline solution did not improve survival or other disease signs. Therefore, infected hamsters did not die from starvation or dehydration. No cerebral edema was apparent in WNV- or sham-infected hamsters as determined by comparing wet-to-total weight ratios of brains, or by evaluating blood-brain-barrier permeability using Evans blue dye penetration into brains. Limited vasculitis was present in the right atrium of the heart of infected hamsters, but abnormal electrocardiograms for several days leading up to mortality did not occur. Since respiratory insufficiency was strongly correlated with mortality more than any other pathological parameter, it is the likely cause of death in rodents. These animal data and a poor prognosis for persons with respiratory insufficiency support the hypothesis that neurological lesions affecting respiratory

  8. Electron correlations in two-dimensional small quantum dots

    Science.gov (United States)

    Sloggett, C.; Sushkov, O. P.

    2005-06-01

    We consider circular and elliptic quantum dots with parabolic external confinement, containing 0-22 electrons and with values of rs in the range 0perturbation theory. We demonstrate that in many cases correlations qualitatively change the spin structure of the ground state from that obtained under Hartree-Fock and spin-density-functional calculations. In some cases the correlation effects destroy Hund’s rule. We also demonstrate that the correlations destroy static spin-density waves observed in Hartree-Fock and spin-density-functional calculations.

  9. Variation in Rural African Gut Microbiota Is Strongly Correlated with Colonization by Entamoeba and Subsistence

    Science.gov (United States)

    Morton, Elise R.; Lynch, Joshua; Froment, Alain; Lafosse, Sophie; Heyer, Evelyne; Przeworski, Molly; Blekhman, Ran; Ségurel, Laure

    2015-01-01

    The human gut microbiota is impacted by host nutrition and health status and therefore represents a potentially adaptive phenotype influenced by metabolic and immune constraints. Previous studies contrasting rural populations in developing countries to urban industrialized ones have shown that industrialization is strongly correlated with patterns in human gut microbiota; however, we know little about the relative contribution of factors such as climate, diet, medicine, hygiene practices, host genetics, and parasitism. Here, we focus on fine-scale comparisons of African rural populations in order to (i) contrast the gut microbiota of populations inhabiting similar environments but having different traditional subsistence modes and either shared or distinct genetic ancestry, and (ii) examine the relationship between gut parasites and bacterial communities. Characterizing the fecal microbiota of Pygmy hunter-gatherers as well as Bantu individuals from both farming and fishing populations in Southwest Cameroon, we found that the gut parasite Entamoeba is significantly correlated with microbiome composition and diversity. We show that across populations, colonization by this protozoa can be predicted with 79% accuracy based on the composition of an individual's gut microbiota, and that several of the taxa most important for distinguishing Entamoeba absence or presence are signature taxa for autoimmune disorders. We also found gut communities to vary significantly with subsistence mode, notably with some taxa previously shown to be enriched in other hunter-gatherers groups (in Tanzania and Peru) also discriminating hunter-gatherers from neighboring farming or fishing populations in Cameroon. PMID:26619199

  10. Record statistics of a strongly correlated time series: random walks and Lévy flights

    Science.gov (United States)

    Godrèche, Claude; Majumdar, Satya N.; Schehr, Grégory

    2017-08-01

    We review recent advances on the record statistics of strongly correlated time series, whose entries denote the positions of a random walk or a Lévy flight on a line. After a brief survey of the theory of records for independent and identically distributed random variables, we focus on random walks. During the last few years, it was indeed realized that random walks are a very useful ‘laboratory’ to test the effects of correlations on the record statistics. We start with the simple one-dimensional random walk with symmetric jumps (both continuous and discrete) and discuss in detail the statistics of the number of records, as well as of the ages of the records, i.e. the lapses of time between two successive record breaking events. Then we review the results that were obtained for a wide variety of random walk models, including random walks with a linear drift, continuous time random walks, constrained random walks (like the random walk bridge) and the case of multiple independent random walkers. Finally, we discuss further observables related to records, like the record increments, as well as some questions raised by physical applications of record statistics, like the effects of measurement error and noise.

  11. Variation in Rural African Gut Microbiota Is Strongly Correlated with Colonization by Entamoeba and Subsistence.

    Science.gov (United States)

    Morton, Elise R; Lynch, Joshua; Froment, Alain; Lafosse, Sophie; Heyer, Evelyne; Przeworski, Molly; Blekhman, Ran; Ségurel, Laure

    2015-11-01

    The human gut microbiota is impacted by host nutrition and health status and therefore represents a potentially adaptive phenotype influenced by metabolic and immune constraints. Previous studies contrasting rural populations in developing countries to urban industrialized ones have shown that industrialization is strongly correlated with patterns in human gut microbiota; however, we know little about the relative contribution of factors such as climate, diet, medicine, hygiene practices, host genetics, and parasitism. Here, we focus on fine-scale comparisons of African rural populations in order to (i) contrast the gut microbiota of populations inhabiting similar environments but having different traditional subsistence modes and either shared or distinct genetic ancestry, and (ii) examine the relationship between gut parasites and bacterial communities. Characterizing the fecal microbiota of Pygmy hunter-gatherers as well as Bantu individuals from both farming and fishing populations in Southwest Cameroon, we found that the gut parasite Entamoeba is significantly correlated with microbiome composition and diversity. We show that across populations, colonization by this protozoa can be predicted with 79% accuracy based on the composition of an individual's gut microbiota, and that several of the taxa most important for distinguishing Entamoeba absence or presence are signature taxa for autoimmune disorders. We also found gut communities to vary significantly with subsistence mode, notably with some taxa previously shown to be enriched in other hunter-gatherers groups (in Tanzania and Peru) also discriminating hunter-gatherers from neighboring farming or fishing populations in Cameroon.

  12. Simultaneous Correlative Scanning Electron and High-NA Fluorescence Microscopy

    Science.gov (United States)

    Liv, Nalan; Zonnevylle, A. Christiaan; Narvaez, Angela C.; Effting, Andries P. J.; Voorneveld, Philip W.; Lucas, Miriam S.; Hardwick, James C.; Wepf, Roger A.; Kruit, Pieter; Hoogenboom, Jacob P.

    2013-01-01

    Correlative light and electron microscopy (CLEM) is a unique method for investigating biological structure-function relations. With CLEM protein distributions visualized in fluorescence can be mapped onto the cellular ultrastructure measured with electron microscopy. Widespread application of correlative microscopy is hampered by elaborate experimental procedures related foremost to retrieving regions of interest in both modalities and/or compromises in integrated approaches. We present a novel approach to correlative microscopy, in which a high numerical aperture epi-fluorescence microscope and a scanning electron microscope illuminate the same area of a sample at the same time. This removes the need for retrieval of regions of interest leading to a drastic reduction of inspection times and the possibility for quantitative investigations of large areas and datasets with correlative microscopy. We demonstrate Simultaneous CLEM (SCLEM) analyzing cell-cell connections and membrane protrusions in whole uncoated colon adenocarcinoma cell line cells stained for actin and cortactin with AlexaFluor488. SCLEM imaging of coverglass-mounted tissue sections with both electron-dense and fluorescence staining is also shown. PMID:23409024

  13. Attosecond-correlated dynamics of two electrons in argon

    Indian Academy of Sciences (India)

    2014-01-11

    correlated dynamics of two electrons in argon. V Sharma N Camus B Fischer M Kremer A Rudenko B Bergues M Kuebel N G Johnson M F Kling T Pfeifer J Ullrich R Moshammer. Invited Talks Volume 82 Issue 1 January 2014 ...

  14. Spin delocalization phase transition in a correlated electrons model

    International Nuclear Information System (INIS)

    Huerta, L.

    1990-11-01

    In a simplified one-site model for correlated electrons systems we show the existence of a phase transition corresponding to spin delocalization. The system becomes a solvable model and zero-dimensional functional techniques are used. (author). 7 refs, 3 figs

  15. Phonon frequency shift and effect of correlation on the electron ...

    Indian Academy of Sciences (India)

    Abstract. The electron–phonon interaction in the periodic Anderson model (PAM) is considered. The PAM incorporates the effect of onsite Coulomb interaction (U) between /-electrons. The in- fluence of Coulomb correlation U on the phonon response of the system is studied by evaluating the phonon spectral function for ...

  16. Relaxation of strongly coupled electron and phonon fields after photoemission and high-energy part of ARPES spectra of cuprates

    Science.gov (United States)

    Myasnikova, A. E.; Zhileeva, E. A.; Moseykin, D. V.

    2018-03-01

    An approach to considering systems with a high concentration of correlated carriers and strong long-range electron–phonon interaction and to calculating the high-energy part of the angle-resolved photoemission spectroscopy (ARPES) spectra of such systems is suggested. Joint relaxation of strongly coupled fields—a field of correlated electrons and phonon field—after photoemission is studied to clarify the nature of characteristic features observed in the high-energy part of the ARPES spectra of cuprate superconductors. Such relaxation occurs in systems with strong predominantly long-range electron–phonon interaction at sufficiently high carrier concentration due to the coexistence of autolocalized and delocalized carriers. A simple method to calculate analytically a high-energy part of the ARPES spectrum arising is proposed. It takes advantage of using the coherent states basis for the phonon field in the polaron and bipolaron states. The approach suggested yields all the high-energy spectral features like broad Gaussian band and regions of ‘vertical dispersion’ being in good quantitative agreement with the experiments on cuprates at any doping with both types of carriers. Demonstrated coexistence of autolocalized and delocalized carriers in superconducting cuprates changes the idea about their ground state above the superconducting transition temperature that is important for understanding transport and magnetic properties. High density of large-radius autolocalized carriers revealed may be a key to the explanation of charge ordering in doped cuprates.

  17. Carbon buildup monitoring using RBS: Correlation with secondary electrons

    International Nuclear Information System (INIS)

    Aguilera, E.F.; Rosales, P.; Martinez-Quiroz, E.; Murillo, G.; Fernandez, M.C.

    2006-01-01

    The RBS technique is applied to solve the problem of on-line monitoring of the carbon deposited on a thin backed foil under ion bombardment. An iterative method is used to reliably extract quantities such as number of projectiles and target thickness in spite of beam energy changes and detector unstabilities. Experimental values for secondary electron yields are also deduced. Results are reported for the thickness variation of thin carbon foils bombarded with carbon ions of energies between 8.95 and 13 MeV. A linear correlation of this variation is found with both, the ion fluence at target and the number of secondary electrons emitted. The correlation exists even though a wide range of beam currents, beam energies and bombarding times was used during the experiment. The measured electron yields show evidence for a change in the emission process between the original foils and the deposited layer, possibly due to a texture change

  18. On the correlation measure of two-electron systems

    Science.gov (United States)

    Saha, Aparna; Talukdar, Benoy; Chatterjee, Supriya

    2017-05-01

    We make use of a Hylleraas-type wave function to derive an exact analytical model to quantify correlation in two-electron atomic/ionic systems and subsequently employ it to examine the role of inter-electronic repulsion in affecting (i) the bare (uncorrelated) single-particle position- and momentum-space charge distributions and (ii) corresponding Shannon's information entropies. The results presented for the first five members in the helium iso-electronic sequence, on the one hand, correctly demonstrate the effect of correlation on bare charge distributions and, on the other hand, lead us to some important results for the correlated and uncorrelated values of the entropies. These include the limiting behavior of the correlated entropy sum (sum of position- and momentum-space entropies) and geometrical realization for the variation of information entropies as a function of Z. We suggest that, rather than the entropy sum, individual entropies should be regarded as better candidates for the measure of correlation.

  19. Nonadiabaticity of electron-tunneling-ionization processes in elliptical strong laser fields

    Science.gov (United States)

    Cai, Jun; Chen, Yan-jun; Xia, Qin-zhi; Ye, Di-fa; Liu, Jie; Fu, Li-bin

    2017-09-01

    We theoretically investigate the electron-tunneling process for a helium atom irradiated by an elliptical strong laser field. The momentum distribution for an electron ionized during the cycle when the laser intensity reaches its maximum is captured, such that we can ignore the interference between the wave packets ionized in different laser cycles and precisely determine the center of the momentum distribution. The quantum mechanical prediction of the center position is further compared to the semiclassical single-trajectory simulation as well as the experimental data. We find that the electron momentums along the minor axis of the laser polarization show good agreement with the nonadiabatic semiclassical calculation for a wide range of laser intensities, indicating the existence of a nonzero lateral momentum when the electron exits the barrier. On the other hand, the offset angles obtained by our quantum mechanical approach for different laser intensities are larger than the nonadiabatic semiclassical results, indicating the importance of the quantum effects during the electron's under-the-barrier dynamics.

  20. Correlative Stochastic Optical Reconstruction Microscopy and Electron Microscopy

    Science.gov (United States)

    Kim, Doory; Deerinck, Thomas J.; Sigal, Yaron M.; Babcock, Hazen P.; Ellisman, Mark H.; Zhuang, Xiaowei

    2015-01-01

    Correlative fluorescence light microscopy and electron microscopy allows the imaging of spatial distributions of specific biomolecules in the context of cellular ultrastructure. Recent development of super-resolution fluorescence microscopy allows the location of molecules to be determined with nanometer-scale spatial resolution. However, correlative super-resolution fluorescence microscopy and electron microscopy (EM) still remains challenging because the optimal specimen preparation and imaging conditions for super-resolution fluorescence microscopy and EM are often not compatible. Here, we have developed several experiment protocols for correlative stochastic optical reconstruction microscopy (STORM) and EM methods, both for un-embedded samples by applying EM-specific sample preparations after STORM imaging and for embedded and sectioned samples by optimizing the fluorescence under EM fixation, staining and embedding conditions. We demonstrated these methods using a variety of cellular targets. PMID:25874453

  1. High Hole-Mobility Molecular Layer Made from Strong Electron Acceptor Molecules with Metal Adatoms.

    Science.gov (United States)

    Yamane, Hiroyuki; Kosugi, Nobuhiro

    2017-11-02

    The electronic structure of 7,7,8,8-tetracyanoquinodimethane (TCNQ) and 2,3,5,6-tetrafluoro-TCNQ (F 4 TCNQ) monolayers on Au(111) has been investigated by means of angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. In contrast to the physisorbed TCNQ/Au(111) interface, the high-resolution core-level photoemission spectra and the low-energy electron diffraction at the F 4 TCNQ/Au(111) interface show evidence for the strong charge transfer (CT) from Au to F 4 TCNQ and for the Au atom segregation from the underlying Au(111) surface, suggesting a possible origin of the spontaneous formation of the two-dimensional F 4 TCNQ-Au network. The ARPES experiment reveals a low hole-injection barrier and large band dispersion in the CT-induced topmost valence level of the F 4 TCNQ-Au network with 260 meV bandwidth due to the adatom-mediated intermolecular interaction. These results indicate that strong electron acceptor molecules with metal adatoms can form high hole-mobility molecular layers by controlling the molecule-metal ordered structure and their CT interaction.

  2. Electron correlation within the relativistic no-pair approximation

    DEFF Research Database (Denmark)

    Almoukhalalati, Adel; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2016-01-01

    This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy. In...... scaling of the speed of light is required. This in turn explains why the relativistic correlation energy to the lowest order is not independent of nuclear charge, in contrast to nonrelativistic theory.......This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy....... In practice, what is reported is the basis set correlation energy, where the "exact" value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension of this definition to the relativistic domain is not straightforward since the corresponding...

  3. Computational time-resolved and resonant x-ray scattering of strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    Bansil, Arun [Northeastern Univ., Boston, MA (United States)

    2016-11-09

    Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source, literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of x-ray science. In particular, our Collaborative Research Team (CRT) focused on developing viable computational schemes for modeling x-ray scattering and photoemission spectra of strongly correlated materials in the time-domain. The vast arsenal of formal/numerical techniques and approaches encompassed by the members of our CRT were brought to bear through appropriate generalizations and extensions to model the pumped state and the dynamics of this non-equilibrium state, and how it can be probed via x-ray absorption (XAS), emission (XES), resonant and non-resonant x-ray scattering, and photoemission processes. We explored the conceptual connections between the time-domain problems and other second-order spectroscopies, such as resonant inelastic x-ray scattering (RIXS) because RIXS may be effectively thought of as a pump-probe experiment in which the incoming photon acts as the pump, and the fluorescent decay is the probe. Alternatively, when the core-valence interactions are strong, one can view K-edge RIXS for example, as the dynamic response of the material to the transient presence of a strong core-hole potential. Unlike an actual pump-probe experiment, here there is no mechanism for adjusting the time-delay between the pump and the probe. However, the core hole

  4. Electron correlation effects in third-order densities.

    Science.gov (United States)

    Rodriguez-Mayorga, Mauricio; Ramos-Cordoba, Eloy; Feixas, Ferran; Matito, Eduard

    2017-02-08

    The electronic energy of a system of fermions can be obtained from the second-order reduced density matrix through the contracted Schrödinger equation or its anti-Hermitian counterpart. Both energy expressions depend on the third-order reduced density matrix (3-RDM) which is usually approximated from lower-order densities. The accuracy of these methods depends critically on the set of N-representability conditions enforced in the calculation and the quality of the approximate 3-RDM. There are no benchmark studies including most 3-RDM approximations and, thus far, no assessment of the deterioration of the approximations with correlation effects has been performed. In this paper we introduce a series of tests to assess the performance of 3-RDM approximations in a model system with varying electron correlation effects, the three-electron harmonium atom. The results of this work put forward several limitations of the currently most used 3-RDM approximations for systems with important electron correlation effects.

  5. Designing, Probing, and Stabilizing Exotic Fabry-Perot Cavities for Studying Strongly Correlated Light

    Science.gov (United States)

    Ryou, Albert

    Synthetic materials made of engineered quasiparticles are a powerful platform for studying manybody physics and strongly correlated systems due to their bottom-up approach to Hamiltonian modeling. Photonic quasiparticles called polaritons are particularly appealing since they inherit fast dynamics from light and strong interaction from matter. This thesis describes the experimental demonstration of cavity Rydberg polaritons, which are composite particles arising from the hybridization of an optical cavity with Rydberg EIT, as well as the tools for probing and stabilizing the cavity. We first describe the design, construction, and testing of a four-mirror Fabry-Perot cavity, whose small waist size on the order of 10 microns is comparable to the Rydberg blockade radius. By achieving strong coupling between the cavity photon and an atomic ensemble undergoing electromagnetically induced transparency (EIT), we observe the emergence of the dark-state polariton and characterize its single-body properties as well as the single-quantum nonlinearity. We then describe the implementation of a holographic spatial light modulator for exciting different transverse modes of the cavity, an essential tool for studying polariton-polariton scattering. For compensating optical aberrations, we employ a digital micromirror device (DMD), combining beam shaping with adaptive optics to produce diffraction-limited light. We quantitatively measure the purity of the DMD-produced Hermite-Gauss modes and confirm up to 99.2% efficiency. One application of the technique is to create Laguerre-Gauss modes, which have been used to probe synthetic Landau levels for photons in a twisted, nonplanar cavity. Finally, we describe the implementation of an FPGA-based FIR filter for stabilizing the cavity. We digitally cancel the acoustical resonances of the feedback-controlled mechanical system, thereby demonstrating an order-of-magnitude enhancement in the feedback bandwidth from 200 Hz to more than 2 k

  6. Critical Behavior of a Strongly-Interacting 2D Electron System

    Science.gov (United States)

    Sarachik, Myriam P.

    2013-03-01

    Two-dimensional (2D) electron systems that obey Fermi liquid theory at high electron densities are expected to undergo one or more transitions to spatially and/or spin-ordered phases as the density is decreased, ultimately forming a Wigner crystal in the dilute, strongly-interacting limit. Interesting, unexpected behavior is observed with decreasing electron density as the electrons' interactions become increasingly important relative to their kinetic energy: the resistivity undergoes a transition from metallic to insulating temperature dependence; the resistance increases sharply and then saturates abruptly with increasing in-plane magnetic field; a number of experiments indicate that the electrons' effective mass exhibits a substantial increase approaching a finite ``critical'' density. There has been a great deal of debate concerning the underlying physics in these systems, and many have questioned whether the change of the resistivity from metallic to insulating signals a phase transition or a crossover. In this talk, I will report measurements that show that with decreasing density ns, the thermopower S of a low-disorder 2D electron system in silicon exhibits a sharp increase by more than an order of magnitude, tending to a divergence at a finite, disorder-independent density nt, consistent with the critical form (- T / S) ~(ns -nt) x with x = 1 . 0 +/- 0 . 1 (T is the temperature). Unlike the resistivity which may not clearly distinguish between a transition and crossover behavior, the thermopower provides clear evidence that a true phase transition occurs with decreasing density to a new low-density phase. Work supported by DOE Grant DE-FG02-84ER45153, BSF grant 2006375, RFBR, RAS, and the Russian Ministry of Science.

  7. Direct Visualization of Valence Electron Motion Using Strong-Field Photoelectron Holography

    Science.gov (United States)

    He, Mingrui; Li, Yang; Zhou, Yueming; Li, Min; Cao, Wei; Lu, Peixiang

    2018-03-01

    Watching the valence electron move in molecules on its intrinsic timescale has been one of the central goals of attosecond science and it requires measurements with subatomic spatial and attosecond temporal resolutions. The time-resolved photoelectron holography in strong-field tunneling ionization holds the promise to access this realm. However, it remains to be a challenging task hitherto. Here we reveal how the information of valence electron motion is encoded in the hologram of the photoelectron momentum distribution (PEMD) and develop a novel approach of retrieval. As a demonstration, applying it to the PEMDs obtained by solving the time-dependent Schrödinger equation for the prototypical molecule H2+ , the attosecond charge migration is directly visualized with picometer spatial and attosecond temporal resolutions. Our method represents a general approach for monitoring attosecond charge migration in more complex polyatomic and biological molecules, which is one of the central tasks in the newly emerging attosecond chemistry.

  8. One-electron atomic-molecular ions containing lithium in a strong magnetic field

    International Nuclear Information System (INIS)

    Olivares-Pilon, H; Turbiner, A V; Vieyra, J C Lopez; Baye, D

    2010-01-01

    The one-electron lithium-containing Coulomb systems of atomic type Li 2+ and molecular type Li 5+ 2 , LiHe 4+ and LiH 3+ are studied in the presence of a strong magnetic field B ≤ 10 7 au in a non-relativistic framework. They are considered at the Born-Oppenheimer approximation of zero order (infinitely massive centres) within the parallel configuration (molecular axis parallel to the magnetic field). The variational and Lagrange-mesh methods are employed, complementing each other. It is demonstrated that the molecular systems LiH 3+ , LiHe 4+ and Li 5+ 2 can exist for sufficiently strong magnetic fields B ∼> 10 4 au and that Li 5+ 2 can even be stable at magnetic fields typical of magnetars.

  9. Charging dynamics and strong localization of a two-dimensional electron cloud

    International Nuclear Information System (INIS)

    Dianoux, R; Smilde, H J H; Marchi, F; Buffet, N; Mur, P; Comin, F; Chevrier, J

    2007-01-01

    The dynamics of charge injection in silicon nanocrystals embedded in a silicon dioxide matrix is studied using electrostatic force microscopy. We show that the presence of silicon nanocrystals with a density of 10 11 cm -2 is essential for strong localization of charges, and results in exceptional charge retention properties compared to nanocrystal-free SiO 2 samples. In both systems, a logarithmic dependence of the diameter of the charged area on the injection time is experimentally observed on a timescale between 0.1 and 10 s (voltage≤10 V). A field-emission injection, limited by Coulomb blockade and a lateral charge spreading due to a repulsive radial electric field are used to model the sample charging. Once the tip is retracted, the electron cloud is strongly confined in the nanocrystals and remains static

  10. The ion-electron correlation function in liquid metals

    International Nuclear Information System (INIS)

    Takeda, S.; Tamaki, S.; Waseda, Y.

    1985-01-01

    The structure factors of liquid Zn at 723 K, Sn at 523 K and Bi at 573 K have been determined by neutron diffraction with sufficient accuracy and compared with those of X-ray diffraction. A remarkable difference in the structural information between the two methods is clearly found around the first peak region as well as in the slightly varied peak positions, and it is apparently larger than the experimental errors. With these facts in mind, a new method evaluating the ion-electron correlation function in liquid metals has been proposed by using the measured structural data of X-rays and neutrons, with the help of theoretical values of the electron-electron correlation function by he Utsumi-Ichimaru scheme. This method has been applied to liquid Zn, Sn and Bi, and the radial distribution function of valence electrons around an ion has been estimated, from which the ionic radius and the schematic diagram of the electron distribution map are obtained. The ionic radii evaluated in this work have been found to agree well with those proposed by Pauling. (author)

  11. Intensity dependent waiting time for strong electron trapping events in speckle stimulated raman scatter

    Energy Technology Data Exchange (ETDEWEB)

    Rose, Harvey [Los Alamos National Laboratory; Daughton, W [Los Alamos National Laboratory; Yin, L [Los Alamos National Laboratory

    2009-01-01

    The onset of Stimulated Raman scatter from an intense laser speckle is the simplest experimentally realizable laser-plasma-interaction environment. Despite this data and recent 3D particle simulations, the controlling mechanism at the onset of backscatter in the kinetic regime when strong electron trapping in the daughter Langmuir wave is a dominant nonlinearity is not understood. This paper explores the consequences of assuming that onset is controlled by large thermal fluctuations. A super exponential dependence of mean reflectivity on speckle intensity in the onset regime is predicted.

  12. Peculiarities of two-electron atom ionization in strong electromagnetic field

    International Nuclear Information System (INIS)

    Ovodova, O.V.; Popov, A.M.; Tikhonova, O.V.

    1997-01-01

    One-dimensional model of helium atom in strong field of electromagnetic wave of femtosecond activity is plotted within the Hartree method frames. Comparison of 'exact' calculations with the calculations conducted within the frames of the 'frozen' and 'passive' electrons is made. The nonmonotonous dependence of one-dimensional ionization probability on the radiation intensity is found. It is shown that the ionization minima are connected with multiphoton resonances between various atomic states, originating due to the Stark effect. It is supposed that the effect of ionization suppression in this case is related to interference stabilization

  13. Integrated electronic transport and thermometry at milliKelvin temperatures and in strong magnetic fields.

    Science.gov (United States)

    Samkharadze, N; Kumar, A; Manfra, M J; Pfeiffer, L N; West, K W; Csáthy, G A

    2011-05-01

    We fabricated a He-3 immersion cell for transport measurements of semiconductor nanostructures at ultra low temperatures and in strong magnetic fields. We have a new scheme of field-independent thermometry based on quartz tuning fork Helium-3 viscometry which monitors the local temperature of the sample's environment in real time. The operation and measurement circuitry of the quartz viscometer is described in detail. We provide evidence that the temperature of two-dimensional electron gas confined to a GaAs quantum well follows the temperature of the quartz viscometer down to 4 mK.

  14. Subfemtosecond electron dynamics of H{sub 2} in strong fields or the quest for the molecular clock

    Energy Technology Data Exchange (ETDEWEB)

    Staudte, A.

    2005-07-01

    In this work we have studied experimentally and theoretically hydrogen and deuterium molecules in strong laser fields. We wanted to demonstrate that control of dynamical processes on the time scale below a single laser cycle (2.7 fs) can be achieved even without using attosecond pulses just by employing the advanced experimental technique COLTRIMS. In order to do this, we have pursued two goals: 1. To examine, whether laser steered electron wavepackets can be used for laser induced electron diffraction (LIED) on molecules. 2. To demonstrate, that the double ionization of H{sub 2} can be followed with sub laser cycle temporal resolution (the molecular clock). Laser induced electron diffraction needs linearly polarized light since its mechanism relies on rescattering of the ionized electron in the molecular potential. With rescattering occurring within a few hundred attoseconds, LIED is really a process of attosecond physics. In principle, two extreme scattering geometries are possible for a homonuclear diatomic molecule like H{sub 2}: the perpendicular geometry, which corresponds to the classical double slit experiment where the electron microbunch is steered transversely to the molecular axis, and the tangential geometry with the electron moving parallel to the molecular axis. Experimental restrictions prevented us to investigate the perpendicular geometry. The molecular clock, on the other hand, employs circularly polarized light to map the absolute phase of the laser electric field onto the spatial direction of the electron momentum. Thereby, a full laser cycle is mapped onto 360 in momentum space. Thus, different electron ejection angles in the laboratory frame correspond to different ejection times. Together with the correlated kinetic energy release of the Coulomb exploding molecules an unambiguous clock running from 0-8 fs with a few 100 as resolution can be envisioned. In direct relation to this experiment, we studied the influence of the long range

  15. Damping at positive frequencies in the limit J⊥-->0 in the strongly correlated Hubbard model

    Science.gov (United States)

    Mohan, Minette M.

    1992-08-01

    I show damping in the two-dimensional strongly correlated Hubbard model within the retraceable-path approximation, using an expansion around dominant poles for the self-energy. The damping half-width ~J2/3z occurs only at positive frequencies ω>5/2Jz, the excitation energy of a pure ``string'' state of length one, where Jz is the Ising part of the superexchange interaction, and occurs even in the absence of spin-flip terms ~J⊥ in contrast to other theoretical treatments. The dispersion relation for both damped and undamped peaks near the upper band edge is found and is shown to have lost the simple J2/3z dependence characteristic of the peaks near the lower band edge. The position of the first three peaks near the upper band edge agrees well with numerical simulations on the t-J model. The weight of the undamped peaks near the upper band edge is ~J4/3z, contrasting with Jz for the weight near the lower band edge.

  16. Strong Tracking Filter for Nonlinear Systems with Randomly Delayed Measurements and Correlated Noises

    Directory of Open Access Journals (Sweden)

    Hongtao Yang

    2018-01-01

    Full Text Available This paper proposes a novel strong tracking filter (STF, which is suitable for dealing with the filtering problem of nonlinear systems when the following cases occur: that is, the constructed model does not match the actual system, the measurements have the one-step random delay, and the process and measurement noises are correlated at the same epoch. Firstly, a framework of decoupling filter (DF based on equivalent model transformation is derived. Further, according to the framework of DF, a new extended Kalman filtering (EKF algorithm via using first-order linearization approximation is developed. Secondly, the computational process of the suboptimal fading factor is derived on the basis of the extended orthogonality principle (EOP. Thirdly, the ultimate form of the proposed STF is obtained by introducing the suboptimal fading factor into the above EKF algorithm. The proposed STF can automatically tune the suboptimal fading factor on the basis of the residuals between available and predicted measurements and further the gain matrices of the proposed STF tune online to improve the filtering performance. Finally, the effectiveness of the proposed STF has been proved through numerical simulation experiments.

  17. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  18. Control and dynamics of attosecond electron wave packets in strong laser fields

    International Nuclear Information System (INIS)

    Johnsson, P.; Remetter, T.; Varju, K.; L'Huillier; Lopez-Martens, R.; Valentin, C.; Balcou, P.; Kazamias, S.; Mauritsson, J.; Gaarde, M.B.; Schafer, K.J.; Mairess, Y.; Wabnitz, H.; Boutu, W.; Salieres, P.

    2005-01-01

    Full text: Trains of attosecond pulses, emerging from the phase-locking of high-order harmonics generated in a strong laser field are now being routinely produced and characterized in a few laser laboratories. Attosecond pulse trains (APTs) are flexible attosecond sources, since the amplitude and relative phase of the spectral components (the harmonics) can be tailored, allowing us to vary both the duration and the carrier frequency of the pulses. Attosecond pulses interacting with a gas of atoms generate electron wave packets (EWPs), which are temporally localized with approximately the same duration as the attosecond pulses. In contrast to the tunneling electron wave packets giving rise to processes such as high-order harmonic generation and above-threshold-ionization (ATI), the properties of these EWPs are inherited from the attosecond pulses through the single-photon ionization step. Thus the energy and temporal characteristics of the EWPs can be varied independently of the process under investigation, by controlling the properties of the attosecond pulses. This talk will describe two recent experiments done in Lund. First we report on the generation, compression and delivery on target of ultrashort extreme-ultraviolet light pulses using external amplitude and phase control. The APT is synthesized from the 13 th to 35 th harmonics of a 35 fs Ti:sapphire laser. The harmonics are generated by focusing the laser beam into a window-less gas cell, filled with argon. To achieve the required on-target attosecond pulses, the harmonics are filtered spatially, using a fixed aperture, and spectrally using aluminum filters. The aluminum filters also serve the purpose of compressing the attosecond pulses, using the negative group-delay dispersion of aluminum to compensate for the intrinsic positive chirp of the attosecond pulses. This experiment demonstrates a practical method for the synthesis and control of attosecond waveforms, and in this case the production of pulses

  19. Spin correlation tensor for measurement of quantum entanglement in electron-electron scattering

    Science.gov (United States)

    Tsurikov, D. E.; Samarin, S. N.; Williams, J. F.; Artamonov, O. M.

    2017-04-01

    We consider the problem of correct measurement of a quantum entanglement in the two-body electron-electron scattering. An expression is derived for a spin correlation tensor of a pure two-electron state. A geometric measure of a quantum entanglement as the distance between two forms of this tensor in entangled and separable cases is presented. Due to such definition, one does not need to look for the closest separable state to the analyzed state. We prove that introduced measure satisfies properties of a valid entanglement measure: nonnegativity, discriminance, normalization, non-growth under local operations and classical communication. This measure is calculated for a problem of electron-electron scattering. We prove that it does not depend on the azimuthal rotation angle of the second electron spin relative to the first electron spin before scattering. We specify how to find a spin correlation tensor and the related measure of a quantum entanglement in an experiment with electron-electron scattering. Finally, the introduced measure is extended to the mixed states.

  20. Correlated electron dynamics and memory in time-dependent density functional theory

    International Nuclear Information System (INIS)

    Thiele, Mark

    2009-01-01

    Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

  1. Correlated electron dynamics and memory in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Thiele, Mark

    2009-07-28

    Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

  2. 2012 CORRELATED ELECTRON SYSTEMS GRC AND GRS, JUNE 23-29, 2012

    Energy Technology Data Exchange (ETDEWEB)

    Kivelson, Steven

    2012-06-29

    The 2012 Gordon Conference on Correlated Electron Systems will present cutting-edge research on emergent properties arising from strong electronic correlations. While we expect the discussion at the meeting to be wide-ranging, given the breadth of the title subject matter, we have chosen several topics to be the particular focus of the talks. These are New Developments in Single and Bilayer Graphene, Topological States of Matter, including Topological Insulators and Spin Liquids, the Interplay Between Magnetism and Unconventional Superconductivity, and Quantum Critical Phenomena in Metallic Systems. We also plan to have shorter sessions on Systems Far From Equilibrium, Low Dimensional Electron Fluids, and New Directions (which will primarily focus on new experimental methodologies and their interpretation).

  3. Establishing a Consistent Theory of Transport in Strongly Correlated Fermi Superfluids

    Science.gov (United States)

    Boyack, Rufus M.

    A diagrammatic method of obtaining exact gauge-invariant response functions in strongly correlated Fermi superfluids is implemented for several example condensed matter systems of current interest. These include: topological superfluids, high temperature superconductors, and superfluids with finite center-of-mass momentum pairing known as Fulde-Ferrell superfluids. Much of the literature on these systems has focused on single-particle properties or alternatively has invoked simple approximations to treat response functions. The goal is to show that, for this wide class of topical problems, one can compute exact response functions. This enables assessment of the validity of different physical scenarios and allows a very broad class of experiments to be addressed. The method developed is based on deriving the full electromagnetic vertex, which satisfies the Ward-Takahashi identity, and determining the collective modes in a manner compatible with the self-consistent gap equation. In the condensed phase of a superfluid and a superconductor, where gauge invariance is spontaneously broken, it is crucial to determine the collective modes from the gap equation in a manner which restores gauge invariance. Our diagrammatic framework provides a very general and powerful method for obtaining these collective modes in a variety of strongly correlated Fermi superfluids. We show that a full electromagnetic vertex satisfying the Ward-Takahashi identity ensures the f-sum rule is satisfied and thus charge is conserved. This diagrammatic method is implemented for both normal and superfluid phases. While there are no collective modes in the normal phase, the Ward-Takahashi identity plays a similarly important role. In particular, for the normal phase we study Rashba spin-orbit coupled Fermi gases with intrinsic pairing in the absence and presence of a magnetic field. Exact density and spin response functions are obtained, even in the absence of a spin conservation law, providing

  4. Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron.

    Science.gov (United States)

    Glover, William J; Schwartz, Benjamin J

    2016-10-11

    The hydrated electron, e - (aq) , has often served as a model system to understand the influence of condensed-phase environments on electronic structure and dynamics. Despite over 50 years of study, however, the basic structure of e - (aq) is still the subject of controversy. In particular, the structure of e - (aq) was long assumed to be an electron localized within a solvent cavity, in a manner similar to halide solvation. Recently, however, we suggested that e - (aq) occupies a region of enhanced water density with little or no discernible cavity. The potential we developed was only subtly different from those that give rise to a cavity solvation motif, which suggests that the driving forces for noncavity solvation involve subtle electron-water attractive interactions at close distances. This leads to the question of how dispersion interactions are treated in simulations of the hydrated electron. Most dispersion potentials are ad hoc or are not designed to account for the type of close-contact electron-water overlap that might occur in the condensed phase, and where short-range dynamic electron correlation is important. To address this, in this paper we develop a procedure to calculate the potential energy surface between a single water molecule and an excess electron with high-level CCSD(T) electronic structure theory. By decomposing the electron-water potential into its constituent energetic contributions, we find that short-range electron correlation provides an attraction of comparable magnitude to the mean-field interactions between the electron and water. Furthermore, we find that by reoptimizing a popular cavity-forming one-electron model potential to better capture these attractive short-range interactions, the enhanced description of correlation predicts a noncavity e - (aq) with calculated properties in better agreement with experiment. Although much attention has been placed on the importance of long-range dispersion interactions in water cluster

  5. Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet

    Directory of Open Access Journals (Sweden)

    P. A. Bhobe

    2015-10-01

    Full Text Available Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K_{2}Cr_{8}O_{16}, which exhibits a temperature-dependent (T-dependent paramagnetic-to-ferromagnetic-metal transition at T_{C}=180  K and transforms into a ferromagnetic insulator below T_{MI}=95  K. We observe clear T-dependent dynamic valence (charge fluctuations from above T_{C} to T_{MI}, which effectively get pinned to an average nominal valence of Cr^{+3.75} (Cr^{4+}∶Cr^{3+} states in a 3∶1 ratio in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0∼3.5(k_{B}T_{MI}∼35  meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U∼4  eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d-electrons/Cr and the half-metallic ferromagnetism in the t_{2g} up-spin band favor a low-energy Peierls metal-insulator transition.

  6. Electron spin resonance and nuclear magnetic resonance of sodium macrostructures in strongly irradiated NaCl-K crystals: Manifestation of quasi-one-dimensional behavior of electrons

    NARCIS (Netherlands)

    Cherkasov, FG; Mustafin, RG; L'vov, SG; Denisenko, GA; den Hartog, HW; Vainshtein, D. I.

    1998-01-01

    Data from an investigation of electron spin resonance and nuclear magnetic resonance of NaCl-K (similar to 1 mole%) crystals strongly irradiated with electrons imply the observation of a metal-insulator transition with decreasing temperature and the manifestation of quasi-one-dimensional electron

  7. Strong Adhesion of Silver/Polypyrrole Composite onto Plastic Substrates toward Flexible Electronics

    Science.gov (United States)

    Kawakita, Jin; Hashimoto, Yasuo; Chikyow, Toyohiro

    2013-06-01

    Flexible electronics require sufficient adhesion to substrates, such as a plastic or a polymer, of the electric wiring for devices. A composite of a conducting metal and a polymer is a candidate alternative to pure metals in terms of wire flexibility. The purpose of this study was to evaluate the adhesiveness of a silver/polypyrrole composite to plastic substrates and to clarify the mechanism of adhesion. The composite was prepared on various plastic substrates by dropping its fluid dispersion. Its adhesiveness was evaluated by the peel-off test and its interfacial structure was characterized by microscopy measurements. Some polymers including Teflon with generally weak adhesion to different materials showed a high adhesiveness of more than 90%. The strong adhesion was related to the anchoring effect of the composite penetrating into the pores near the surface of the substrate.

  8. Matrix-product states for strongly correlated systems and quantum information processing

    Energy Technology Data Exchange (ETDEWEB)

    Saberi, Hamed

    2008-12-12

    This thesis offers new developments in matrix-product state theory for studying the strongly correlated systems and quantum information processing through three major projects: In the first project, we perform a systematic comparison between Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG). The NRG method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix-product states (MPS). White's DMRG for treating quantum lattice problems can likewise be reformulated in terms of MPS. Thus, the latter constitute a common algebraic structure for both approaches. We exploit this fact to compare the NRG approach for the single-impurity Anderson model to a variational matrix-product state approach (VMPS), equivalent to single-site DMRG. For the latter, we use an ''unfolded'' Wilson chain, which brings about a significant reduction in numerical costs compared to those of NRG. We show that all NRG eigenstates (kept and discarded) can be reproduced using VMPS, and compare the difference in truncation criteria, sharp vs. smooth in energy space, of the two approaches. Finally, we demonstrate that NRG results can be improved upon systematically by performing a variational optimization in the space of variational matrix-product states, using the states produced by NRG as input. In the second project we demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We consider a realistic scenario in which an ancillary system with a limited number of levels performs restricted sequential interactions with qubits in a row. The proposed method relies on a suitable local optimization procedure, yielding an efficient recipe for the realistic and approximate sequential generation of any

  9. Matrix-product states for strongly correlated systems and quantum information processing

    International Nuclear Information System (INIS)

    Saberi, Hamed

    2008-01-01

    This thesis offers new developments in matrix-product state theory for studying the strongly correlated systems and quantum information processing through three major projects: In the first project, we perform a systematic comparison between Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG). The NRG method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix-product states (MPS). White's DMRG for treating quantum lattice problems can likewise be reformulated in terms of MPS. Thus, the latter constitute a common algebraic structure for both approaches. We exploit this fact to compare the NRG approach for the single-impurity Anderson model to a variational matrix-product state approach (VMPS), equivalent to single-site DMRG. For the latter, we use an ''unfolded'' Wilson chain, which brings about a significant reduction in numerical costs compared to those of NRG. We show that all NRG eigenstates (kept and discarded) can be reproduced using VMPS, and compare the difference in truncation criteria, sharp vs. smooth in energy space, of the two approaches. Finally, we demonstrate that NRG results can be improved upon systematically by performing a variational optimization in the space of variational matrix-product states, using the states produced by NRG as input. In the second project we demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We consider a realistic scenario in which an ancillary system with a limited number of levels performs restricted sequential interactions with qubits in a row. The proposed method relies on a suitable local optimization procedure, yielding an efficient recipe for the realistic and approximate sequential generation of any entangled multiqubit state. We give

  10. The effects of local correlations on the electronic structure of FeSe

    Science.gov (United States)

    Watson, Matthew; Kim, Timur; Haghighirad, Amir; Coldea, Amalia

    FeSe is structurally the simplest of Fe-based superconductors, but its complex and unique properties pose important theoretical questions. One important aspect of the physics of FeSe is the understanding of the strength and effects of electronic correlations. In order to explore this, we have performed angle-resolved photo-emission spectroscopy (ARPES) measurements on high quality bulk single crystals of FeSe over a wide range of binding energies, in different scattering geometries and with varying incident photon energies, analysing the quasiparticle renormalisations, scattering rates and degree of coherence. We find that FeSe exhibits moderately strong, orbital-dependent correlation effects which are understood to arise primarily due to local electron-electron interactions on the Fe sites. We conclude that electronic correlations constitute a key ingredient in understanding the electronic structure of FeSe. Part of this work was supported by EPSRC, UK (EP/I004475/1, EP/I017836/1). We thank Diamond Light Source for access to Beamline I05.

  11. Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems.

    Science.gov (United States)

    Flick, Johannes; Appel, Heiko; Ruggenthaler, Michael; Rubio, Angel

    2017-04-11

    In this work, we illustrate the recently introduced concept of the cavity Born-Oppenheimer approximation [ Flick et al. PNAS 2017 , 10.1073/pnas.1615509114 ] for correlated electron-nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic and photon-nuclear wave functions accurately describes eigenstates of strongly correlated light-matter systems. For a GaAs quantum ring model in resonance with a photon mode we highlight how the ground-state electronic potential-energy surface changes the usual harmonic potential of the free photon mode to a dressed mode with a double-well structure. This change is accompanied by a splitting of the electronic ground-state density. For a model where the photon mode is in resonance with a vibrational transition, we observe in the excited-state electronic potential-energy surface a splitting from a single minimum to a double minimum. Furthermore, for a time-dependent setup, we show how the dynamics in correlated light-matter systems can be understood in terms of population transfer between potential energy surfaces. This work at the interface of quantum chemistry and quantum optics paves the way for the full ab initio description of matter-photon systems.

  12. Experimental study of transport of relativistic electron beams in strong magnetic mirror field

    Science.gov (United States)

    Sakata, Shohei; Kondo, Kotaro; Bailly-Grandvaux, Mathiu; Bellei, Claudio; Santos, Joao; Firex Project Team

    2015-11-01

    Relativistic electron beams REB produced by ultra high intense laser pulses have generally a large divergence angle that results in degradation of energy coupling between the REB and a fuel core in the fast ignition scheme. Guiding and focusing of the REB by a strong external magnetic field was proposed to achieve high efficiency. We investigated REB transport through 50 μm or 250 μm thick plastic foils CuI doped under external magnetic fields, in magnetic mirror configurations of 1.2 or 4 mirror ratio. The experiment was carried out at the GEKKO XII and LFEX laser facility. Spatial pattern of the REB was measured by coherent transition radiation and/or Cu Ka x ray emission from the rear surface of the foil targets. Strong collimation of the REB by the external magnetic field was observed with 50 μm thick plastic targets, while the REB scattered in 250 μm thick targets. The experimental results are compared with computer simulations to understand the physical mechanisms of the REB transport in the external magnetic field. This work is supported by NIFS (Japan), MEXT/JSPS KAKENHI (Japan), JSPS Fellowship (Japan), ANR (France) and COST (Europe).

  13. Directed emission of CdSe nanoplatelets originating from strongly anisotropic 2D electronic structure

    Science.gov (United States)

    Scott, Riccardo; Heckmann, Jan; Prudnikau, Anatol V.; Antanovich, Artsiom; Mikhailov, Aleksandr; Owschimikow, Nina; Artemyev, Mikhail; Climente, Juan I.; Woggon, Ulrike; Grosse, Nicolai B.; Achtstein, Alexander W.

    2017-12-01

    Intrinsically directional light emitters are potentially important for applications in photonics including lasing and energy-efficient display technology. Here, we propose a new route to overcome intrinsic efficiency limitations in light-emitting devices by studying a CdSe nanoplatelets monolayer that exhibits strongly anisotropic, directed photoluminescence. Analysis of the two-dimensional k-space distribution reveals the underlying internal transition dipole distribution. The observed directed emission is related to the anisotropy of the electronic Bloch states governing the exciton transition dipole moment and forming a bright plane. The strongly directed emission perpendicular to the platelet is further enhanced by the optical local density of states and local fields. In contrast to the emission directionality, the off-resonant absorption into the energetically higher 2D-continuum of states is isotropic. These contrasting optical properties make the oriented CdSe nanoplatelets, or superstructures of parallel-oriented platelets, an interesting and potentially useful class of semiconductor-based emitters.

  14. Implementation of a virtual correlative light and transmission electron microscope.

    Science.gov (United States)

    Voigt, Tilman; Zuber, Benoît; Gawatz, Gerlinde; Herrmann, Gudrun

    2013-07-01

    In the long run, the widespread use of slide scanners by pathologists requires an adaptation of teaching methods in histology and cytology in order to target these new possibilities of image processing and presentation via the internet. Accordingly, we were looking for a tool with the possibility to teach microscopic anatomy, histology, and cytology of tissue samples which would be able to combine image data from light and electron microscopes independently of microscope suppliers. With the example of a section through the villus of jejunum, we describe here how to process image data from light and electron microscopes in order to get one image-stack which allows a correlation of structures from the microscopic anatomic to the cytological level. With commercially available image-presentation software that we adapted to our needs, we present here a platform which allows for the presentation of this new but also of older material independently of microscope suppliers. Copyright © 2013 Wiley Periodicals, Inc.

  15. Frustration and chiral orderings in correlated electron systems

    Science.gov (United States)

    Batista, Cristian D.; Lin, Shi-Zeng; Hayami, Satoru; Kamiya, Yoshitomo

    2016-08-01

    The term frustration refers to lattice systems whose ground state cannot simultaneously satisfy all the interactions. Frustration is an important property of correlated electron systems, which stems from the sign of loop products (similar to Wilson products) of interactions on a lattice. It was early recognized that geometric frustration can produce rather exotic physical behaviors, such as macroscopic ground state degeneracy and helimagnetism. The interest in frustrated systems was renewed two decades later in the context of spin glasses and the emergence of magnetic superstructures. In particular, Phil Anderson’s proposal of a quantum spin liquid ground state for a two-dimensional lattice S  =  1/2 Heisenberg magnet generated a very active line of research that still continues. As a result of these early discoveries and conjectures, the study of frustrated models and materials exploded over the last two decades. Besides the large efforts triggered by the search of quantum spin liquids, it was also recognized that frustration plays a crucial role in a vast spectrum of physical phenomena arising from correlated electron materials. Here we review some of these phenomena with particular emphasis on the stabilization of chiral liquids and non-coplanar magnetic orderings. In particular, we focus on the ubiquitous interplay between magnetic and charge degrees of freedom in frustrated correlated electron systems and on the role of anisotropy. We demonstrate that these basic ingredients lead to exotic phenomena, such as, charge effects in Mott insulators, the stabilization of single magnetic vortices, as well as vortex and skyrmion crystals, and the emergence of different types of chiral liquids. In particular, these orderings appear more naturally in itinerant magnets with the potential of inducing a very large anomalous Hall effect.

  16. Double atom ionization by multicharged ions and strong electromagnetic field: correlation effects in a continuous spectrum

    International Nuclear Information System (INIS)

    Presnyakov, L.P.; Uskov, D.B.

    1997-01-01

    The nonstationary theory of double ionization of two-electron atoms in collisions with multicharged ions or under the impact of intensive electromagnetic field is developed. The approach, making it possible to study both problems by uniform method, is formulated. The two-electron wave function of continuous spectrum, accounting for interaction of electrons with atomic nucleus, external ionizer and between themselves is obtained. The calculation results on the helium atoms double ionization by multicharged ions is a good quantitative agreement with available experimental data

  17. Evidence for weak electronic correlations in Fe-Pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Yang, W. L.; Sorini, A. P.; Chen, C-C.; Moritz, B.; Lee, W.-S.; Vernay, F.; Olalde-Velasco, P.; Denlinger, J. D.; Delley, B.; Chu, J.-H.; Analytis, J.G.; Fisher, I. R.; Ren, Z. A.; Yang, J.; Lu, W.; Zhao, Z. X.; van den Brink, J.; Hussain, Z.; Shen, Z.-X.; Devereaux, T. P.

    2009-06-11

    Using x-ray absorption and resonant inelastic x-ray scattering, charge dynamics at and near the Fe L edges is investigated in Fe pnictide materials, and contrasted tothat measured in other Fe compounds. It is shown that the XAS and RIXS spectra for 122 and 1111 Fe pnictides are each qualitatively similar to Fe metal. Cluster diagonalization, multiplet, and density-functional calculations show that Coulomb correlations are much smaller than in the cuprates, highlighting the role of Fe metallicity and strong covalency in these materials. Best agreement with experiment is obtained using Hubbard parameters U<~;; 2eV and J ~;; 0.8eV.

  18. Evidence for weak electronic correlations in Fe-pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Yang, W.L.

    2010-04-29

    Using x-ray absorption and resonant inelastic x-ray scattering, charge dynamics at and near the Fe L edges is investigated in Fe pnictide materials, and contrasted to that measured in other Fe compounds. It is shown that the XAS and RIXS spectra for 122 and 1111 Fe pnictides are each qualitatively similar to Fe metal. Cluster diagonalization, multiplet, and density-functional calculations show that Coulomb correlations are much smaller than in the cuprates, highlighting the role of Fe metallicity and strong covalency in these materials. Best agreement with experiment is obtained using Hubbard parameters U {approx}< 2eV and J {approx} 0.8eV.

  19. Superconducting states in strongly correlated systems with nonstandard quasiparticles and real space pairing: an unconventional Fermi-liquid limit

    Directory of Open Access Journals (Sweden)

    J. Spałek

    2010-01-01

    Full Text Available We use the concept of generalized (almost localized Fermi Liquid composed of nonstandard quasiparticles with spin-dependence effective masses and the effective field induced by electron correlations. This Fermi liquid is obtained within the so-called statistically-consistent Gutzwiller approximation (SGA proposed recently [cf. J. Jędrak et al., arXiv: 1008.0021] and describes electronic states of the correlated quantum liquid. Particular emphasis is put on real space pairing driven by the electronic correlations, the Fulde-Ferrell state of the heavy-fermion liquid, and the d-wave superconducting state of high temperature curate superconductors in the overdoped limit. The appropriate phase diagrams are discussed showing in particular the limits of stability of the Bardeen-Cooper-Schrieffer (BCS type of state.

  20. Correlative Fluorescence and Electron Microscopy in 3D-Scanning Electron Microscope Perspective.

    Science.gov (United States)

    Franks, Jonathan; Wallace, Callen T; Shibata, Masateru; Suga, Mitsuo; Erdman, Natasha; Stolz, Donna B; Watkins, Simon C

    2017-04-03

    The ability to correlate fluorescence microscopy (FM) and electron microscopy (EM) data obtained on biological (cell and tissue) specimens is essential to bridge the resolution gap between the data obtained by these different imaging techniques. In the past such correlations were limited to either EM navigation in two dimensions to the locations previously highlighted by fluorescence markers, or subsequent high-resolution acquisition of tomographic information using a TEM. We present a novel approach whereby a sample previously investigated by FM is embedded and subjected to sequential mechanical polishing and backscatter imaging by scanning electron microscope. The resulting three dimensional EM tomogram of the sample can be directly correlated to the FM data. © 2017 by John Wiley & Sons, Inc. Copyright © 2017 John Wiley & Sons, Inc.

  1. Neutron Scattering Investigations of Correlated Electron Systems and Neutron Instrumentation

    DEFF Research Database (Denmark)

    Holm, Sonja Lindahl

    This PhD work has two main topics; one on neutron instrumentations, and one on correlated electron systems. There have been a total of ten different subprojects. Common to all the projects is the neutron scattering technique that is presented in the first chapters of the thesis. Neutrons are a un......This PhD work has two main topics; one on neutron instrumentations, and one on correlated electron systems. There have been a total of ten different subprojects. Common to all the projects is the neutron scattering technique that is presented in the first chapters of the thesis. Neutrons...... the impact of the time structure (pulse length and repetition frequency) choice for ESS are appended. McStas simulations of a low resolution cold powder diffractometer and high resolution thermal powder diffractometer with wavelength frame multiplication have been carried out for 20 different settings...... of the time structure. The instrument designs were changed to fit each setting with pulse lengths between 1 ms and 2 ms and repetition frequencies between 10 Hz and 25 Hz. The cold powder diffractometer was found to perform well with all the different source settings. The thermal powder diffractometer...

  2. Wave-Particle Interactions Involving Correlated Electron Bursts and Whistler Chorus in Earth's Radiation Belts

    Science.gov (United States)

    Echterling, N.; Schriver, D.; Roeder, J. L.; Fennell, J. F.

    2017-12-01

    During the recovery phase of substorm plasma injections, the Van Allen Probes commonly observe events of quasi-periodic energetic electron bursts correlating with simultaneously detected upper-band, whistler-mode chorus emissions. These electron bursts exhibit narrow ranges of pitch angles (75-80° and 100-105°) and energies (20-40 keV). Electron cyclotron harmonic (ECH) emissions are also commonly detected, but typically do not display correlation with the electron bursts. To examine sources of free energy and the generation of these wave emissions, an observed electron velocity distribution on January 13, 2013 is used as the starting condition for a particle in cell (PIC) simulation. Effects of temperature anisotropy (perpendicular temperature greater than parallel temperature), the presence of a loss cone and a cold electron population on the generation of whistler and ECH waves are examined to understand wave generation and nonlinear interactions with the particle population. These nonlinear interactions produce energy diffusion along with strong pitch angle scattering into the loss cone on the order of milliseconds, which is faster than a typical bounce period of seconds. To examine the quasi-periodic nature of the electron bursts, a loss-cone recycling technique is implemented to model the effects of the periodic emptying of the loss cone and electron injection on the growth of whistler and ECH waves. The results of the simulations are compared to the Van Allen Probe observations to determine electron acceleration, heating and transport in Earth's radiation belts due to wave-particle interactions.

  3. Method of correlation operators in the theory of a system of particles with strong interactions

    International Nuclear Information System (INIS)

    Kuz'min, Y.M.

    1985-01-01

    A similarity transformation of the density matrix is performed with the help of the correlation operator. This does not change the value of the partition function. A method of calculating the transformed partition function with the help of a finite translation operator is given. A general system of coupled equations is obtained from which the matrix elements of correlation operators of increasing order can be found

  4. Effect of magnetic field, pressure and correlated hopping of electrons on conductivity of Mott-Hubbard material

    International Nuclear Information System (INIS)

    Didukh, Leonid; Skorenkyy, Yuriy; Kramar, Oleksandr; Dovhopyaty, Yuriy

    2006-01-01

    We discuss the influence of external magnetic field h and pressure p on a static conductivity of Mott-Hubbard material which is described by model with strong intra-site Coulomb repulsion and correlated hopping of electrons. Green function and energy spectrum are calculated by the use of a variant of projection procedure. The static conductivity σ xx is calculated as a function of electron concentration n, h, p, and temperature T. The correlated hopping is shown to cause the electron-hole asymmetry of transport properties of real materials

  5. STRONG VELOCITY DEPENDENCE OF ELECTRON-CAPTURE IN COLLISIONS BETWEEN ALIGNED NA-ASTERISK(3P) AND HE-2+

    NARCIS (Netherlands)

    SCHLATMANN, AR; HOEKSTRA, R; MORGENSTERN, R; OLSON, RE; PASCALE, J

    1993-01-01

    By analyzing spectra of emitted photons, we have studied state-selective electron capture in collisions of He2+ on aligned Na*(3p) atoms that span the ''velocity-matching'' energy between projectile and target electron. We find a strong dependence of the capture cross sections on the Na*(3p) orbital

  6. Advances in Ultrafast Control and Probing of Correlated-Electron Materials

    Energy Technology Data Exchange (ETDEWEB)

    Wall, Simon [Univ. of Oxford (United Kingdom). Clarendon Lab.; Rini, Matteo [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Dhesi, Sarnjeet S. [Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.; Schoenlein, Robert W. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Cavalleri, Andrea [Univ. of Oxford (United Kingdom). Clarendon Lab.; Univ. of Hamburg (Germany). Max Planck Research Dept. for Structural Dynamics

    2011-02-24

    Here in this paper, we present recent results on ultrafast control and probing of strongly correlated-electron materials. We focus on magnetoresistive manganites, applying excitation and probing wavelengths that cover the mid-IR to the soft X-rays. In analogy with near-equilibrium filling and bandwidth control of phase transitions, our approach uses both visible and mid-IR pulses to stimulate the dynamics by exciting either charges across electronic bandgaps or specific vibrational resonances. Lastly, x-rays are used to unambiguously measure the microscopic electronic, orbital, and structural dynamics. Our experiments dissect and separate the nonequilibrium physics of these compounds, revealing the complex interplay and evolution of spin, lattice, charge, and orbital degrees of freedoms in the time domain.

  7. First-principles momentum-dependent local ansatz approach to correlated electron system

    Science.gov (United States)

    Kakehashi, Yoshiro; Chandra, Sumal

    In spite of a great success of the density functional theory (DFT), quantitative description of correlated electron systems has not yet been achieved because of the difficulty in improvement of exchange-correlation potential. Toward the quantitative description of correlated electrons, we recently proposed the momentum-dependent local ansatz approach (MLA) based on the wavefunction method. The theory describes exactly the weak Coulomb interaction regime, and goes beyond the Gutzwiller wavefunction method in both the weak and strong interaction regimes. We present here the first principles version of the MLA, which is obtained by combining the LDA +U Hamiltonian with the MLA. We demonstrate that the theory describes quantitatively the Hund-rule correlation energies, the charge fluctuations, the amplitudes of local moments, the momentum distribution functions, as well as the mass enhancement factors in iron-group transition metals. The DFT does not describe these quantities because it is based on the Hohenberg-Kohn theorem and the Kohn-Sham independent-electron scheme.

  8. Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

    KAUST Repository

    Schwingenschlögl, Udo

    2009-12-01

    Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.

  9. Single particle Green's functions calculation of the electrical conductivity of strong correlated systems

    International Nuclear Information System (INIS)

    Rodrigues Junior, W.A.

    A calculation of the electrical conductivity for Hubbard materials is presented which is valid when U/t >> 1 (U being the Coulomb repulsion and t the nearest neighbor hopping energy) for arbitrary electron concentration and temperature. The derivation emploies the single particle Green's functions with real and imaginary times instead of the usual two-particle real time Green's function. The result is compared with the experimental data available for some organic charge transfer salts [pt

  10. Kondo lattice model: Unitary transformations, spin dynamics, strongly correlated charged modes, and vacuum instability

    OpenAIRE

    Prats, J. M.; Lopez-Aguilar, F.

    1996-01-01

    Using unitary transformations, we express the Kondo lattice Hamiltonian in terms of fermionic operators that annihilate the ground state of the interacting system and that represent the best possible approximations to the actual charged excitations. In this way, we obtain an effective Hamiltonian which, for small couplings, consists in a kinetic term for conduction electrons and holes, an RKKY-like term, and a renormalized Kondo interaction. The physical picture of the system implied by this ...

  11. Azimuthal Charged-Particle Correlations and Possible Local Strong Parity Violation

    Czech Academy of Sciences Publication Activity Database

    Abelev, B. I.; Aggarwal, M. M.; Ahammed, Z.; Anderson, B. D.; Arkhipkin, D.; Averichev, G. S.; Balewski, J.; Barannikova, O.; Barnby, L. S.; Baudot, J.; Baumgart, S.; Beavis, D.R.; Bellwied, R.; Benedosso, F.; Betancourt, M.J.; Betts, R. R.; Bhasin, A.; Bhati, A.K.; Bichsel, H.; Bielčík, Jaroslav; Bielčíková, Jana; Biritz, B.; Bland, L.C.; Bombara, M.; Bonner, B. E.; Botje, M.; Bouchet, J.; Braidot, E.; Brandin, A. V.; Bruna, E.; Bueltmann, S.; Burton, T. P.; Bysterský, Michal; Cai, X.Z.; Caines, H.; Sanchez, M.C.D.; Catu, O.; Cebra, D.; Cendejas, R.; Cervantes, M.C.; Chajecki, Z.; Chaloupka, Petr; Chattopadhyay, S.; Chen, H.F.; Chen, J.H.; Cheng, J.; Cherney, M.; Chikanian, A.; Choi, K.E.; Christie, W.; Clarke, R.F.; Codrington, M.J.M.; Corliss, R.; Cormier, T.M.; Coserea, R. M.; Cramer, J. G.; Crawford, H. J.; Das, D.; Dash, S.; Daugherity, M.; De Silva, L.C.; Dedovich, T. G.; DePhillips, M.; Derevschikov, A.A.; de Souza, R.D.; Didenko, L.; Djawotho, P.; Dunlop, J.C.; Mazumdar, M.R.D.; Edwards, W.R.; Efimov, L.G.; Elhalhuli, E.; Elnimr, M.; Emelianov, V.; Engelage, J.; Eppley, G.; Erazmus, B.; Estienne, M.; Eun, L.; Fachini, P.; Fatemi, R.; Fedorisin, J.; Feng, A.; Filip, P.; Finch, E.; Fine, V.; Fisyak, Y.; Gagliardi, C. A.; Gaillard, L.; Ganti, M. S.; Gangaharan, D.R.; Garcia-Solis, E.J.; Geromitsos, A.; Geurts, F.; Ghazikhanian, V.; Ghosh, P.; Gorbunov, Y.N.; Gordon, A.; Grebenyuk, O.; Grosnick, D.; Grube, B.; Guertin, S.M.; Guimaraes, K.S.F.F.; Gupta, A.; Gupta, N.; Guryn, W.; Haag, B.; Hallman, T.J.; Hamed, A.; Harris, J.W.; He, W.; Heinz, M.; Heppelmann, S.; Hippolyte, B.; Hirsch, A.; Hjort, E.; Hoffman, A.M.; Hoffmann, G.W.; Hofman, D.J.; Hollis, R.S.; Huang, H.Z.; Humanic, T.J.; Igo, G.; Iordanova, A.; Jacobs, P.; Jacobs, W.W.; Jakl, Pavel; Jena, C.; Jin, F.; Jones, C.L.; Jones, P.G.; Joseph, J.; Judd, E.G.; Kabana, S.; Kajimoto, K.; Kang, K.; Kapitán, Jan; Keane, D.; Kechechyan, A.; Kettler, D.; Khodyrev, V.Yu.; Kikola, D.P.; Kiryluk, J.; Kisiel, A.; Klein, S.R.; Knospe, A.G.; Kocoloski, A.; Koetke, D.D.; Kopytine, M.; Korsch, W.; Kotchenda, L.; Kushpil, Vasilij; Kravtsov, P.; Kravtsov, V.I.; Krueger, K.; Krus, M.; Kuhn, C.; Kumar, L.; Kurnadi, P.; Lamont, M.A.C.; Landgraf, J.M.; LaPointe, S.; Lauret, J.; Lebedev, A.; Lednický, Richard; Lee, Ch.; Lee, J.H.; Leight, W.; LeVine, M.J.; Li, N.; Li, C.; Li, Y.; Lin, G.; Lindenbaum, S.J.; Lisa, M.A.; Liu, F.; Liu, J.; Liu, L.; Ljubicic, T.; Llope, W.J.; Longacre, R.S.; Love, W.A.; Lu, Y.; Ludlam, T.; Ma, G.L.; Ma, Y.G.; Mahapatra, D.P.; Majka, R.; Mall, O.I.; Mangotra, L.K.; Manweiler, R.; Margetis, S.; Markert, C.; Matis, H.S.; Matulenko, Yu.A.; McShane, T.S.; Meschanin, A.; Milner, R.; Minaev, N.G.; Mioduszewski, S.; Mischke, A.; Mitchell, J.; Mohanty, B.; Morozov, D.A.; Munhoz, M. G.; Nandi, B.K.; Nattrass, C.; Nayak, T. K.; Nelson, J.M.; Netrakanti, P.K.; Ng, M.J.; Nogach, L.V.; Nurushev, S.B.; Odyniec, G.; Ogawa, A.; Okada, H.; Okorokov, V.; Olson, D.; Pachr, M.; Page, B.S.; Pal, S.K.; Pandit, Y.; Panebratsev, Y.; Panitkin, S.Y.; Pawlak, T.; Peitzmann, T.; Perevoztchikov, V.; Perkins, C.; Peryt, W.; Phatak, S.C.; Poljak, N.; Poskanzer, A.M.; Potukuchi, B.V.K.S.; Prindle, D.; Pruneau, C.; Pruthi, N.K.; Putschke, J.; Raniwala, R.; Raniwala, S.; Ray, R.L.; Redwine, R.; Reed, R.; Ridiger, A.; Ritter, H.G.; Roberts, J.B.; Rogachevskiy, O.V.; Romero, J.L.; Rose, A.; Roy, C.; Ruan, L.; Russcher, M.J.; Sahoo, R.; Sakrejda, I.; Sakuma, T.; Salur, S.; Sandweiss, J.; Sarsour, M.; Schambach, J.; Scharenberg, R.P.; Schmitz, N.; Seger, J.; Selyuzhenkov, I.; Seyboth, P.; Shabetai, A.; Shahaliev, E.; Shao, M.; Sharma, M.; Shi, S.S.; Shi, X.H.; Sichtermann, E.P.; Simon, F.; Singaraju, R.N.; Skoby, M.J.; Smirnov, N.; Snellings, R.; Sorensen, P.; Sowinski, J.; Spinka, H.M.; Srivastava, B.; Stadnik, A.; Stanislaus, T.D.S.; Staszak, D.; Strikhanov, M.; Stringfellow, B.; Suaide, A.A.P.; Suarez, M.C.; Subba, N.L.; Šumbera, Michal; Sun, X.M.; Sun, Y.; Sun, Z.; Surrow, B.; Symons, T.J.M.; de Toledo, A. S.; Takahashi, J.; Tang, A.H.; Tang, Z.; Tarnowsky, T.; Thein, D.; Thomas, J.H.; Tian, J.; Timmins, A.R.; Timoshenko, S.; Tokarev, M. V.; Trainor, T.A.; Tram, V.N.; Trattner, A.L.; Trentalange, S.; Tribble, R. E.; Tsai, O.D.; Ulery, J.; Ullrich, T.; Underwood, D.G.; Van Buren, G.; van Leeuwen, M.; Vander Molen, A.M.; Vanfossen, J.A.; Varma, R.; Vasconcelos, G.S.M.; Vasilevski, I.M.; Vasiliev, A. N.; Videbaek, F.; Vigdor, S.E.; Viyogi, Y. P.; Vokal, S.; Voloshin, S.A.; Wada, M.; Walker, M.; Wang, F.; Wang, G.; Wang, J.S.; Wang, Q.; Wang, X.; Wang, X.L.; Wang, Y.; Webb, G.; Webb, J.C.; Westfall, G.D.; Whitten, C.; Wieman, H.; Wissink, S.W.; Witt, R.; Wu, Y.; Xie, W.; Xu, N.; Xu, Q.H.; Xu, Y.; Xu, Z.; Yang, Y.; Yepes, P.; Yip, K.; Yoo, I.K.; Yue, Q.; Zawisza, M.; Zbroszczyk, H.; Zhan, W.; Zhang, S.; Zhang, W.M.; Zhang, X.P.; Zhang, Y.; Zhang, Z.P.; Zhao, Y.; Zhong, C.; Zhou, J.; Zhu, X.; Zoulkarneev, R.; Zoulkarneeva, Y.; Zuo, J.X.; Tlustý, David

    2009-01-01

    Roč. 103, č. 25 (2009), 251601/1-251601/7 ISSN 0031-9007 R&D Projects: GA ČR GA202/07/0079; GA MŠk LC07048; GA MŠk LA09013 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z10100502 Keywords : heavy-ion collisions * local parity violation * strong interaction Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 7.328, year: 2009

  12. Quantum Glassiness in Strongly Correlated Clean Systems: An Example of Topological Overprotection

    Science.gov (United States)

    Chamon, Claudio

    2005-01-01

    This Letter presents solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three-dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, (1)have no quenched disorder, (2)have solely local interactions, (3)have an exactly solvable spectrum, (4)have topologically ordered ground states, and (5)have slow dynamical relaxation rates akin to those of strong structural glasses.

  13. Sharp correlations in the ARPES spectra of strongly disordered topological boundary modes

    OpenAIRE

    Ringel, Zohar

    2015-01-01

    Data from angle resolved photo-emission spectroscopy (ARPES) often serves as a smoking-gun evidence for the existence of topological materials. It provides the energy dispersion curves of the topological boundary modes which characterize these phases. Unfortunately this method requires a sufficiently regular boundary such that these boundary modes remain sharp in momentum space. Here the seemingly random data obtained from performing ARPES on strongly disordered topological insulators and Wey...

  14. Electronic properties of antiferromagnetic UBi2 metal by exact exchange for correlated electrons method

    Directory of Open Access Journals (Sweden)

    E Ghasemikhah

    2012-03-01

    Full Text Available This study investigated the electronic properties of antiferromagnetic UBi2 metal by using ab initio calculations based on the density functional theory (DFT, employing the augmented plane waves plus local orbital method. We used the exact exchange for correlated electrons (EECE method to calculate the exchange-correlation energy under a variety of hybrid functionals. Electric field gradients (EFGs at the uranium site in UBi2 compound were calculated and compared with the experiment. The EFGs were predicted experimentally at the U site to be very small in this compound. The EFG calculated by the EECE functional are in agreement with the experiment. The densities of states (DOSs show that 5f U orbital is hybrided with the other orbitals. The plotted Fermi surfaces show that there are two kinds of charges on Fermi surface of this compound.

  15. Dihydroazulene Photochromism:Synthesis, Molecular Electronics and Hammett Correlations

    DEFF Research Database (Denmark)

    Broman, Søren Lindbæk

    This thesis describes the development of a versatile synthetic protocol for preparation of a large selection of dihydroazulenes (DHAs) with both electron withdrawing and donating groups. By UV-Vis and NMR spectroscopies and even in a single-molecule junction, their ability to undergo a light......-coupling reactions, systems with either one or two “molecular alligator clips” were prepared. These were studied in solution by UV-Vis absorption spectroscopy and in a single-molecule junction, the latter by the group of Danilov and Kubatkin at the Chalmers University of Technology. A single-molecule device......-reaction (VHF → DHA), studied by UV-Vis absorption spectroscopy. In seven different model systems, the rate of back-reaction was found to obey a Hammett correlation when plotting ln(k) against the appropriate σ-values. These plots were used to estimate the σ-value of substituents which have not yet been...

  16. Histologically Measured Cardiomyocyte Hypertrophy Correlates with Body Height as Strongly as with Body Mass Index

    Directory of Open Access Journals (Sweden)

    Richard E. Tracy

    2011-01-01

    Full Text Available Cardiac myocytes are presumed to enlarge with left ventricular hypertrophy (LVH. This study correlates histologically measured myocytes with lean and fat body mass. Cases of LVH without coronary heart disease and normal controls came from forensic autopsies. The cross-sectional widths of myocytes in H&E-stained paraffin sections followed log normal distributions almost to perfection in all 104 specimens, with constant coefficient of variation across the full range of ventricular weight, as expected if myocytes of all sizes contribute proportionately to hypertrophy. Myocyte sizes increased with height. By regression analysis, height2.7 as a proxy for lean body mass and body mass index (BMI as a proxy for fat body mass, exerted equal effects in the multiple correlation with myocyte volume, and the equation rejected race and sex. In summary, myocyte sizes, as indexes of LVH, suggest that lean and fat body mass may contribute equally.

  17. Correlating the motion of electrons and nuclei with two-dimensional electronic-vibrational spectroscopy.

    Science.gov (United States)

    Oliver, Thomas A A; Lewis, Nicholas H C; Fleming, Graham R

    2014-07-15

    Multidimensional nonlinear spectroscopy, in the electronic and vibrational regimes, has reached maturity. To date, no experimental technique has combined the advantages of 2D electronic spectroscopy and 2D infrared spectroscopy, monitoring the evolution of the electronic and nuclear degrees of freedom simultaneously. The interplay and coupling between the electronic state and vibrational manifold is fundamental to understanding ensuing nonradiative pathways, especially those that involve conical intersections. We have developed a new experimental technique that is capable of correlating the electronic and vibrational degrees of freedom: 2D electronic-vibrational spectroscopy (2D-EV). We apply this new technique to the study of the 4-(di-cyanomethylene)-2-methyl-6-p-(dimethylamino)styryl-4H-pyran (DCM) laser dye in deuterated dimethyl sulfoxide and its excited state relaxation pathways. From 2D-EV spectra, we elucidate a ballistic mechanism on the excited state potential energy surface whereby molecules are almost instantaneously projected uphill in energy toward a transition state between locally excited and charge-transfer states, as evidenced by a rapid blue shift on the electronic axis of our 2D-EV spectra. The change in minimum energy structure in this excited state nonradiative crossing is evident as the central frequency of a specific vibrational mode changes on a many-picoseconds timescale. The underlying electronic dynamics, which occur on the hundreds of femtoseconds timescale, drive the far slower ensuing nuclear motions on the excited state potential surface, and serve as a excellent illustration for the unprecedented detail that 2D-EV will afford to photochemical reaction dynamics.

  18. Strong temperature dependence of extraordinary magnetoresistance correlated to mobility in a two-contact device

    KAUST Repository

    Sun, Jian

    2012-02-21

    A two-contact extraordinary magnetoresistance (EMR) device has been fabricated and characterized at various temperatures under magnetic fields applied in different directions. Large performance variations across the temperature range have been found, which are due to the strong dependence of the EMR effect on the mobility. The device shows the highest sensitivity of 562ω/T at 75 K with the field applied perpendicularly. Due to the overlap between the semiconductor and the metal shunt, the device is also sensitive to planar fields but with a lower sensitivity of about 20 to 25% of the one to perpendicular fields. © 2012 The Japan Society of Applied Physics.

  19. Competing orders in strongly correlated systems. Dirac materials and iron-based superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Classen, Laura

    2016-11-04

    In this work we address the collective phenomena appearing in interacting fermion systems due to the competition of distinct orders at the example of Dirac materials and iron-based superconductors. On the one hand we determine leading ordering tendencies in an unbiased way, when Fermi liquid instabilities are expected simultaneously in the particle-particle and particle-hole channel. In this context we analyze the impact of electron-phonon interactions on the many-body instabilities of electrons on the honeycomb lattice. Furthermore we investigate the interplay between superconductivity, magnetism and orbital order in five-pocket iron-based superconductors including the full orbital composition of low-energy excitations. On the other hand we study how the close proximity of different phases affects the structure of the phase diagram and the nature of transitions, as well as the corresponding quantum multicritical behavior. To this end we consider the semimetal-insulator transitions to an antiferromagnetic and a staggered-density state of low-energy Dirac fermions. To account for the decisive role of interactions and the various degrees of freedom in these models, modern renormalization group techniques are applied.

  20. 2010 Gordon Research Conference on Correlated Electron Systems: Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Basov, Dmitri N. [Univ. of California, San Diego, CA (United States)

    2010-06-18

    The 2010 Gordon Conference on Correlated Electron Systems will present cutting-edge research on emergent properties arising from strong electronic correlations. The Conference will feature a wide range of topics, such as the role of topology in condensed matter systems, quantum Hall interferometry and non-Abelian statistics, quantum criticality, metal-insulator transition, quantum effects in conductivity, Dirac quasiparticles, and superconductivity in cuprates and pnictides. In addition, we are reserving two sessions for new developments in this field that may arise in the coming year. The Conference will bring together a collection of investigators who are at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. We intend to have talks by established leaders in the field and also by young researchers who have made seminal contributions to various aspects of correlated electron physics, The collegial atmosphere of this Conference, with programmed discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings, provides an avenue for scientists from different disciplines to brainstorm and promotes cross-disciplinary collaborations in the various research areas represented.

  1. Energy diffusion in strongly driven quantum chaotic systems: the role of correlations of the matrix elements

    International Nuclear Information System (INIS)

    Elyutin, P V; Rubtsov, A N

    2008-01-01

    The energy evolution of a quantum chaotic system under the perturbation that harmonically depends on time is studied for the case of large perturbation, in which the rate of transition calculated from the Fermi golden rule (FGR) is about or exceeds the frequency of perturbation. For this case, the models of the Hamiltonian with random non-correlated matrix elements demonstrate that the energy evolution retains its diffusive character, but the rate of diffusion increases slower than the square of the magnitude of perturbation, thus destroying the quantum-classical correspondence for the energy diffusion and the energy absorption in the classical limit ℎ → 0. The numerical calculation carried out for a model built from the first principles (the quantum analog of the Pullen-Edmonds oscillator) demonstrates that the evolving energy distribution, apart from the diffusive component, contains a ballistic one with the energy dispersion that is proportional to the square of time. This component originates from the chains of matrix elements with correlated signs and vanishes if the signs of matrix elements are randomized. The presence of the ballistic component formally extends the applicability of the FGR to the non-perturbative domain and restores the quantum-classical correspondence

  2. Signatures of pairing in the magnetic excitation spectrum of strongly correlated two-leg ladders

    Science.gov (United States)

    Nocera, A.; Patel, N. D.; Dagotto, E.; Alvarez, G.

    2017-11-01

    Magnetic interactions are widely believed to play a crucial role in the microscopic mechanism leading to high critical temperature superconductivity. It is therefore important to study the signatures of pairing in the magnetic excitation spectrum of simple models known to show unconventional superconducting tendencies. Using the density matrix renormalization group technique, we calculate the dynamical spin structure factor S (k ,ω ) of a generalized t -U -J Hubbard model away from half filling in a two-leg ladder geometry. The addition of J enhances pairing tendencies. We analyze quantitatively the signatures of pairing in the magnetic excitation spectra. We found that the superconducting pair-correlation strength, that can be estimated independently from ground state properties, is closely correlated with the integrated low-energy magnetic spectral weight in the vicinity of (π ,π ) . In this wave-vector region, robust spin incommensurate features develop with increasing doping. The branch of the spectrum with rung direction wave vector krung=0 does not change substantially with doping where pairing dominates and thus plays a minor role. We discuss the implications of our results for neutron scattering experiments, where the spin excitation dynamics of hole-doped quasi-one-dimensional magnetic materials can be measured and also address implications for recent resonant inelastic x-ray scattering experiments.

  3. Quantum glassiness in clean strongly correlated systems: an example of topological overprotection

    Science.gov (United States)

    Chamon, Claudio

    2005-03-01

    Describing matter at near absolute zero temperature requires understanding a system's quantum ground state and the low energy excitations around it, the quasiparticles, which are thermally populated by the system's contact to a heat bath. However, this paradigm breaks down if thermal equilibration is obstructed. I present solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, 1) have no quenched disorder, 2) have solely local interactions, 3) have an exactly solvable spectrum, 4) have topologically ordered ground states, and 5) have slow dynamical relaxation rates akin to those of strong structural glasses.

  4. Quantum distillation: Dynamical generation of low-entropy states of strongly correlated fermions in an optical lattice

    Energy Technology Data Exchange (ETDEWEB)

    Heidrich-Meisner, F. [Institut fur Physikalische Chemie der RWTH; Manmana, S. R. [Ecole Polytechnique Federale de Lausanne, Switzerland; Rigol, M. [Georgetown University; Muramatsu, A. [Universitat Stuttgart, Institute fur Plasmaforschung, Germany; Feiguin, A. E. [University of Maryland; Dagotto, Elbio R [ORNL

    2009-01-01

    Correlations between particles can lead to subtle and sometimes counterintuitive phenomena. We analyze one such case, occurring during the sudden expansion of fermions in a lattice when the initial state has a strong admixture of double occupancies. We promote the notion of quantum distillation: during the expansion and in the case of strongly repulsive interactions, doublons group together, forming a nearly ideal band insulator, which is metastable with low entropy. We propose that this effect could be used for cooling purposes in experiments with two-component Fermi gases.

  5. Serum obestatin level strongly correlates with lipoprotein subfractions in non-diabetic obese patients.

    Science.gov (United States)

    Szentpéteri, Anita; Lőrincz, Hajnalka; Somodi, Sándor; Varga, Viktória Evelin; Paragh, György; Seres, Ildikó; Paragh, György; Harangi, Mariann

    2018-03-05

    Obestatin is a ghrelin-associated peptide, derived from preproghrelin. Although many of its effects are unclear, accumulating evidence supports positive actions on both metabolism and cardiovascular function. To date, level of obestatin and its correlations to the lipid subfractions in non-diabetic obese (NDO) patients have not been investigated. Fifty NDO patients (BMI: 41.96 ± 8.6 kg/m 2 ) and thirty-two normal-weight, age- and gender-matched healthy controls (BMI: 24.16 ± 3.3 kg/m 2 ) were enrolled into our study. Obestatin level was measured by ELISA. Low-density lipoprotein (LDL) and high-density lipoprotein (HDL) subfractions, intermediate density lipoprotein (IDL) and very low-density lipoprotein (VLDL) levels and mean LDL size were detected by nongradient polyacrylamide gel electrophoresis (Lipoprint). Serum level of obestatin was significantly lower in NDO patients compared to controls (3.01 ± 0.5 vs. 3.29 ± 0.6 μg/ml, p level of obestatin and BMI (r = - 0.33; p level of serum glucose (r = - 0.27, p level and the levels of ApoA1 (r = 0.25; p level (r = 0.23; p level negatively correlated with obestatin (r = - 0.32; p level. Based on our data, measurement of obestatin level in obesity may contribute to understand the interplay between gastrointestinal hormone secretion and metabolic alterations in obesity.

  6. Studies of electron correlation in the photoionization process

    Energy Technology Data Exchange (ETDEWEB)

    Rosenberg, Richard Allen [Univ. of California, Berkeley, CA (United States)

    1979-03-01

    Electron correlation is a result of the interaction of two or more electrons confined in a region of space, and may conveniently be treated under the formalism of configuration interaction (CI). Photoionization provides a rather direct experimental method for studying configuration interaction. The types of CI involved in the photoionization process can be divided into three categories: initial state configuration interaction (ISCI), final ionic state configuration interaction (FISCI), and continuum state configuration interaction (CSCI). This thesis deals with experimental studies which reveal how the various types of CI may become manifested in photoionization. The experimental methods utilized in this work are photoelectron spectroscopy (PES), electron impact spectroscopy (EIS), and time-resolved fluorescence spectroscopy. The EIS was carried out following the discovery that the UV lamp on a Perkin-Elmer photoelectron spectrometer could be utilized as a source of low energy electrons. The time-resolved fluorescence work utilized both the tunability and the time structure of the radiation available at the Stanford Synchrotron Radiation Laboratory (SSRL). A commercial photoelectron spectrometer equipped with a conventional UV lamp (Hei, Nei) was employed for some of the PES studies, and a novel time-of-flight photoelectron spectrometer was developed for the PES work performed using synchrotron radiation. The PES of Ba, Sm, Eu, and Yb was studied using both Hei (22.22 eV) and Nei (16.85 eV) radiation. Satellite structure observed in these spectra using Nei (and for Yb, Hei also) radiation could be satisfactorily explained by ISCI alone. The Hei spectra of Sm, Eu, and, in particular, Ba showed dramatic changes in the satellite population which could only be explained by a new mechanism, autoionization, which is a special form of CSCI. The detailed nature of this mechanism was explored in Ba using synchrotron radiation. It was found that the autoionizing level decays

  7. Strong localized variations of the low-altitude energetic electron fluxes in the evening sector near the plasmapause

    Directory of Open Access Journals (Sweden)

    E. E. Titova

    1998-01-01

    Full Text Available Specific type of energetic electron precipitation accompanied by a sharp increase in trapped energetic electron flux are found in the data obtained from low-altitude NOAA satellites. These strongly localized variations of the trapped and precipitated energetic electron flux have been observed in the evening sector near the plasmapause during recovery phase of magnetic storms. Statistical characteristics of these structures as well as the results of comparison with proton precipitation are described. We demonstrate the spatial coincidence of localized electron precipitation with cold plasma gradient and whistler wave intensification measured on board the DE-1 and Aureol-3 satellites. A simultaneous localized sharp increase in both trapped and precipitating electron flux could be a result of significant pitch-angle isotropization of drifting electrons due to their interaction via cyclotron instability with the region of sharp increase in background plasma density.Key words. Ionosphere (particle precipitation; wave-particle interaction Magnetospheric Physics (plasmasphere

  8. Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach

    Science.gov (United States)

    Haule, Kristjan

    2018-04-01

    The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal-insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger-Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback effect of correlations on crystal structure in rare earth nickelates to explain the mechanism of the metal-insulator transition. The method showed that such feedback effect is also essential to understand the dynamic stability of the high-temperature body-centered cubic phase of elemental iron, and in particular it predicted strong enhancement of the electron-phonon coupling over DFT values in FeSe, which was very recently verified by pioneering time-domain experiment.

  9. Rapid plasma heating by collective interactions, using strong turbulence and relativistic electron beams

    International Nuclear Information System (INIS)

    Wharton, C.B.

    1977-01-01

    A multi-kilovolt, moderate density plasma was generated in a magnetic mirror confinement system by two methods: turbulent heating and relativistic electron beam. Extensive diagnostic development permitted the measurement of important plasma characteristics, leading to interesting and novel conclusions regarding heating and loss mechanisms. Electron and ion heating mechanisms were categorized, and parameter studies made to establish ranges of importance. Nonthermal ion and electron energy distributions were measured. Beam propagation and energy deposition studies yielded the spatial dependence of plasma heating

  10. Analysis of the enhanced negative correlation between electron density and electron temperature related to earthquakes

    Science.gov (United States)

    Shen, X. H.; Zhang, X.; Liu, J.; Zhao, S. F.; Yuan, G. P.

    2015-04-01

    Ionospheric perturbations in plasma parameters have been observed before large earthquakes, but the correlation between different parameters has been less studied in previous research. The present study is focused on the relationship between electron density (Ne) and temperature (Te) observed by the DEMETER (Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions) satellite during local nighttime, in which a positive correlation has been revealed near the equator and a weak correlation at mid- and low latitudes over both hemispheres. Based on this normal background analysis, the negative correlation with the lowest percent in all Ne and Te points is studied before and after large earthquakes at mid- and low latitudes. The multiparameter observations exhibited typical synchronous disturbances before the Chile M8.8 earthquake in 2010 and the Pu'er M6.4 in 2007, and Te varied inversely with Ne over the epicentral areas. Moreover, statistical analysis has been done by selecting the orbits at a distance of 1000 km and ±7 days before and after the global earthquakes. Enhanced negative correlation coefficients lower than -0.5 between Ne and Te are found in 42% of points to be connected with earthquakes. The correlation median values at different seismic levels show a clear decrease with earthquakes larger than 7. Finally, the electric-field-coupling model is discussed; furthermore, a digital simulation has been carried out by SAMI2 (Sami2 is Another Model of the Ionosphere), which illustrates that the external electric field in the ionosphere can strengthen the negative correlation in Ne and Te at a lower latitude relative to the disturbed source due to the effects of the geomagnetic field. Although seismic activity is not the only source to cause the inverse Ne-Te variations, the present results demonstrate one possibly useful tool in seismo-electromagnetic anomaly differentiation, and a comprehensive analysis with multiple parameters helps to

  11. Inelastic light scattering to probe strongly correlated bosons in optical lattices

    International Nuclear Information System (INIS)

    Fort, Chiara; Fabbri, Nicole; Fallani, Leonardo; Clement, David; Inguscio, Massimo

    2011-01-01

    We have used inelastic light scattering to study correlated phases of an array of one-dimensional interacting Bose gases. In the linear response regime, the observed spectra are proportional to the dynamic structure factor. In particular we have investigated the superfluid to Mott insulator crossover loading the one-dimensional gases in an optical lattice and monitoring the appearance of an energy gap due to finite particle-hole excitation energy. We attribute the low frequency side of the spectra to the presence of some superfluid and normal phase fraction between the Mott insulator regions with different fillings produced in the inhomogeneous systems. In the Mott phase we also investigated excitations to higher excited bands of the optical lattice, the spectra obtained in this case being connected to the single particle spectral function. In one-dimensional systems the effect of thermal fluctuations and interactions is enhanced by the reduced dimensionality showing up in the dynamic structure factor. We measured the dynamic structure factor of an array of one-dimensional bosonic gases pointing out the effect of temperature-induced phase fluctuations in reducing the coherence length of the system.

  12. Microchimerism is strongly correlated with tolerance to noninherited maternal antigens in mice.

    Science.gov (United States)

    Dutta, Partha; Molitor-Dart, Melanie; Bobadilla, Joseph L; Roenneburg, Drew A; Yan, Zhen; Torrealba, Jose R; Burlingham, William J

    2009-10-22

    In mice and humans, the immunologic effects of developmental exposure to noninherited maternal antigens (NIMAs) are quite variable. This heterogeneity likely reflects differences in the relative levels of NIMA-specific T regulatory (T(R)) versus T effector (T(E)) cells. We hypothesized that maintenance of NIMA-specific T(R) cells in the adult requires continuous exposure to maternal cells and antigens (eg, maternal microchimerism [MMc]). To test this idea, we used 2 sensitive quantitative polymerase chain reaction (qPCR) tests to detect MMc in different organs of NIMA(d)-exposed H2(b) mice. MMc was detected in 100% of neonates and a majority (61%) of adults; nursing by a NIMA+ mother was essential for preserving MMc into adulthood. MMc was most prevalent in heart, lungs, liver, and blood, but was rarely detected in unfractionated lymphoid tissues. However, MMc was detectable in isolated CD4+, CD11b+, and CD11c+ cell subsets of spleen, and in lineage-positive cells in heart. Suppression of delayed type hypersensitivity (DTH) and in vivo lymphoproliferation correlated with MMc levels, suggesting a link between T(R) and maternal cell engraftment. In the absence of neonatal exposure to NIMA via breastfeeding, MMc was lost, which was accompanied by sensitization to NIMA in some offspring, indicating a role of oral exposure in maintaining a favorable T(R) > T(E) balance.

  13. Novel strongly correlated electron states in filled skutterudite lanthanide osmium antimonides

    International Nuclear Information System (INIS)

    Maple, M.B.; Frederick, N.A.; Ho, P.-C.; Yuhasz, W.M.; Sayles, T.A.; Butch, N.P.; Jeffries, J.R.; Taylor, B.J.

    2005-01-01

    Recent measurements on the filled skutterudite compounds Pr(Os 1-x Ru x ) 4 Sb 12 , NdOs 4 Sb 12 , and SmOs 4 Sb 12 are discussed. Pr(Os 1-x Ru x ) 4 Sb 12 displays superconductivity for all values of x with a minimum at x=0.6, and only the compounds with x 4 Sb 12 and the BCS superconductivity of PrRu 4 Sb 12 . NdOs 4 Sb 12 is a heavy fermion ferromagnet, with a sharp transition observed at 1.0K. SmOs 4 Sb 12 is also a heavy fermion material, and it may display weak ferromagnetic behavior below 2.6K

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

    Science.gov (United States)

    Gor'kov, Lev P.

    2012-04-01

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

  15. Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics

    NARCIS (Netherlands)

    Alling, B.; Kormann, F.H.W.; Grabowski, B; Glensk, A; Abrikosov, I.A.

    2016-01-01

    We study the impact of lattice vibrations on magnetic and electronic properties of paramagnetic bcc and fcc iron at finite temperature, employing the disordered local moments molecular dynamics (DLM-MD) method. Vibrations strongly affect the distribution of local magnetic moments at finite

  16. Direct Visualization of Laser-Driven Electron Multiple Scattering and Tunneling Distance in Strong-Field Ionization

    NARCIS (Netherlands)

    Witte, S.; Hickstein, D.D.; Ranitovic, P.; Tong, X.-M.; Huismans, Y.; Arpin, P.; Zhou, X.; Keister, K.E.; Hogle, C.W.; Zhang, B.; Ding, C.; Johnsson, P.; Toshima, N.; Vrakking, M.J.J.; Murnane, M.M.; Kapteyn, H.C.

    2012-01-01

    Using a simple model of strong-field ionization of atoms that generalizes the well-known 3-step model from 1D to 3D, we show that the experimental photoelectron angular distributions resulting from laser ionization of xenon and argon display prominent structures that correspond to electrons that

  17. Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion

    Science.gov (United States)

    Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D.; Leonov, I.

    2017-07-01

    We present results of a detailed theoretical study of the electronic, magnetic, and structural properties of the chalcogenide parent system FeSe using a fully charge-self-consistent implementation of the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we predict a remarkable change of the electronic structure of FeSe which is accompanied by a complete reconstruction of the Fermi surface topology (Lifshitz transition) upon a moderate expansion of the lattice volume. The phase transition results in a change of the in-plane magnetic nesting wave vector from (π ,π ) to (π ,0 ) and is associated with a transition from itinerant to orbital-selective localized magnetic moments. We attribute this behavior to a correlation-induced shift of the Van Hove singularity of the Fe t2 bands at the M point across the Fermi level. Our results reveal a strong orbital-selective renormalization of the effective mass m*/m of the Fe 3 d electrons upon expansion. The largest effect occurs in the Fe x y orbital, which gives rise to a non-Fermi-liquid-like behavior above the transition. The behavior of the momentum-resolved magnetic susceptibility χ (q ) demonstrates that magnetic correlations are also characterized by a pronounced orbital selectivity, suggesting a spin-fluctuation origin of the nematic phase of paramagnetic FeSe. We conjecture that the anomalous behavior of FeSe upon expansion is associated with the proximity of the Fe t2 Van Hove singularity to the Fermi level and the sensitive dependence of its position on external conditions.

  18. 3D correlative light and electron microscopy of cultured cells using serial blockface scanning electron microscopy

    Science.gov (United States)

    Lerner, Thomas R.; Burden, Jemima J.; Nkwe, David O.; Pelchen-Matthews, Annegret; Domart, Marie-Charlotte; Durgan, Joanne; Weston, Anne; Jones, Martin L.; Peddie, Christopher J.; Carzaniga, Raffaella; Florey, Oliver; Marsh, Mark; Gutierrez, Maximiliano G.

    2017-01-01

    ABSTRACT The processes of life take place in multiple dimensions, but imaging these processes in even three dimensions is challenging. Here, we describe a workflow for 3D correlative light and electron microscopy (CLEM) of cell monolayers using fluorescence microscopy to identify and follow biological events, combined with serial blockface scanning electron microscopy to analyse the underlying ultrastructure. The workflow encompasses all steps from cell culture to sample processing, imaging strategy, and 3D image processing and analysis. We demonstrate successful application of the workflow to three studies, each aiming to better understand complex and dynamic biological processes, including bacterial and viral infections of cultured cells and formation of entotic cell-in-cell structures commonly observed in tumours. Our workflow revealed new insight into the replicative niche of Mycobacterium tuberculosis in primary human lymphatic endothelial cells, HIV-1 in human monocyte-derived macrophages, and the composition of the entotic vacuole. The broad application of this 3D CLEM technique will make it a useful addition to the correlative imaging toolbox for biomedical research. PMID:27445312

  19. Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory

    Science.gov (United States)

    Hirayama, Motoaki; Miyake, Takashi; Imada, Masatoshi; Biermann, Silke

    2017-08-01

    We propose a refined scheme of deriving an effective low-energy Hamiltonian for materials with strong electronic Coulomb correlations beyond density functional theory (DFT). By tracing out the electronic states away from the target degrees of freedom in a controlled way by a perturbative scheme, we construct an effective Hamiltonian for a restricted low-energy target space incorporating the effects of high-energy degrees of freedom in an effective manner. The resulting effective Hamiltonian can afterwards be solved by accurate many-body solvers. We improve this "multiscale ab initio scheme for correlated electrons" (MACE) primarily in two directions by elaborating and combining two frameworks developed by Hirayama et al. [M. Hirayama, T. Miyake, and M. Imada, Phys. Rev. B 87, 195144 (2013), 10.1103/PhysRevB.87.195144] and Casula et al. [M. Casula, P. Werner, L. Vaugier, F. Aryasetiawan, T. Miyake, A. J. Millis, and S. Biermann, Phys. Rev. Lett. 109, 126408 (2012), 10.1103/PhysRevLett.109.126408]: (1) Double counting of electronic correlations between the DFT and the low-energy solver is avoided by using the constrained G W scheme; and (2) the frequency dependent interactions emerging from the partial trace summation are successfully separated into a nonlocal part that is treated following ideas by Hirayama et al. and a local part treated nonperturbatively in the spirit of Casula et al. and are incorporated into the renormalization of the low-energy dispersion. The scheme is favorably tested on the example of SrVO3.

  20. Isochoric heating and strong blast wave formation driven by fast electrons in solid-density targets

    Science.gov (United States)

    Santos, J. J.; Vauzour, B.; Touati, M.; Gremillet, L.; Feugeas, J.-L.; Ceccotti, T.; Bouillaud, R.; Deneuville, F.; Floquet, V.; Fourment, C.; Hadj-Bachir, M.; Hulin, S.; Morace, A.; Nicolaï, Ph; d'Oliveira, P.; Reau, F.; Samaké, A.; Tcherbakoff, O.; Tikhonchuk, V. T.; Veltcheva, M.; Batani, D.

    2017-10-01

    We experimentally investigate the fast (metallic foils and subsequent high-pressure hydrodynamics induced by energetic electrons driven by high-intensity, high-contrast laser pulses. The early-time temperature profile inside the target is measured from the streaked optical pyrometry of the target rear side. This is further characterized from benchmarked simulations of the laser-target interaction and the fast electron transport. Despite a modest laser energy (laser-based platform dedicated to high-energy-density physics studies.

  1. New real space correlated-basis-functions approach for the electron correlations of the semiconductor inversion layer

    International Nuclear Information System (INIS)

    Feng Weiguo; Wang Hongwei; Wu Xiang

    1989-12-01

    Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs

  2. Photochemical generation of strong one-electron reductants via light-induced electron transfer with reversible donors followed by cross reaction with sacrificial donors.

    Science.gov (United States)

    Shan, Bing; Schmehl, Russell

    2014-11-13

    This work illustrates a modified approach for employing photoinduced electron transfer reactions coupled to secondary irreversible electron transfer processes for the generation of strongly reducing equivalents in solution. Through irradiation of [Ru(LL)3](2+) (LL= diimine ligands) with tritolylamine (TTA) as quencher and various alkyl amines as sacrificial electron donors, yields in excess of 50% can be achieved for generation of reductants with E(0)(2+/1+) values between -1.0 and -1.2 V vs NHE. The key to the system is the fact that the TTA cation radical, formed in high yield in reaction with the photoexcited [Ru(LL)3](2+) complex, reacts irreversibly with various sacrificial electron donating amines that are kinetically unable to directly react with the photoexcited complex. The electron transfer between the TTA(+) and the sacrificial amine is an energetically uphill process. Kinetic analysis of these parallel competing reactions, consisting of bimolecular and pseudo first-order reactions, allows determination of electron transfer rate constants for the cross electron transfer reaction between the sacrificial donor and the TTA(+). A variety of amines were examined as potential sacrificial electron donors, and it was found that tertiary 1,2-diamines are most efficient among these amines for trapping the intermediate TTA(+). This electron-donating combination is capable of supplying a persistent reducing flux of electrons to catalysts used for hydrogen production.

  3. Complementary views on electron spectra: From fluctuation diagnostics to real-space correlations

    Science.gov (United States)

    Gunnarsson, O.; Merino, J.; Schäfer, T.; Sangiovanni, G.; Rohringer, G.; Toschi, A.

    2018-03-01

    We study the relation between the microscopic properties of a many-body system and the electron spectra, experimentally accessible by photoemission. In a recent paper [O. Gunnarsson et al., Phys. Rev. Lett. 114, 236402 (2015), 10.1103/PhysRevLett.114.236402], we introduced the "fluctuation diagnostics" approach to extract the dominant wave-vector-dependent bosonic fluctuations from the electronic self-energy. Here, we first reformulate the theory in terms of fermionic modes to render its connection with resonance valence bond (RVB) fluctuations more transparent. Second, by using a large-U expansion, where U is the Coulomb interaction, we relate the fluctuations to real-space correlations. Therefore, it becomes possible to study how electron spectra are related to charge, spin, superconductivity, and RVB-like real-space correlations, broadening the analysis of an earlier work [J. Merino and O. Gunnarsson, Phys. Rev. B 89, 245130 (2014), 10.1103/PhysRevB.89.245130]. This formalism is applied to the pseudogap physics of the two-dimensional Hubbard model, studied in the dynamical cluster approximation. We perform calculations for embedded clusters with up to 32 sites, having three inequivalent K points at the Fermi surface. We find that as U is increased, correlation functions gradually attain values consistent with an RVB state. This first happens for correlation functions involving the antinodal point and gradually spreads to the nodal point along the Fermi surface. Simultaneously, a pseudogap opens up along the Fermi surface. We relate this to a crossover from a Kondo-type state to an RVB-like localized cluster state and to the presence of RVB and spin fluctuations. These changes are caused by a strong momentum dependence in the cluster bath couplings along the Fermi surface. We also show, from a more algorithmic perspective, how the time-consuming calculations in fluctuation diagnostics can be drastically simplified.

  4. Correlation function and electronic spectral line broadening in relativistic plasmas

    Directory of Open Access Journals (Sweden)

    Douis S.

    2013-01-01

    Full Text Available The electrons dynamics and the time autocorrelation function Cee(t for the total electric microfield of the electrons on positive charge impurity embedded in a plasma are considered when the relativistic dynamic of the electrons is taken into account. We have, at first, built the effective potential governing the electrons dynamics. This potential obeys a nonlinear integral equation that we have solved numerically. Regarding the electron broadening of the line in plasma, we have found that when the plasma parameters change, the amplitude of the collision operator changes in the same way as the time integral of Cee(t. The electron-impurity interaction is taken at first time as screened Deutsh interaction and at the second time as Kelbg interaction. Comparisons of all interesting quantities are made with respect to the previous interactions as well as between classical and relativistic dynamics of electrons.

  5. Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method.

    Science.gov (United States)

    Elward, Jennifer M; Thallinger, Barbara; Chakraborty, Arindam

    2012-03-28

    The electron-hole explicitly correlated Hartree-Fock method (eh-XCHF) is presented as a general strategy for investigation of electron-hole correlation and computation of electron-hole recombination probability. The eh-XCHF method is a variational method which uses explicitly correlated wavefunction that depends on the electron-hole inter-particle distances. It is shown that the explicitly correlated ansatz provides a systematic route to variationally minimize the total energy. The parabolic quantum dot is used as the benchmark system and the eh-XCHF method is used for computation of the ground state energy and electron-hole recombination probability. The results are compared to Hartree-Fock and explicitly correlated full configuration interaction (R12-FCI) calculations. The results indicate that an accurate description of the electron-hole wavefunction at short electron-hole inter-particle distances is crucial for qualitative description of the electron-hole recombination probability. The eh-XCHF method successfully addresses this issue and comparison of eh-XCHF calculations with R12-FCI shows good agreement. The quality of the mean field approximation for electron-hole system is also investigated by comparing HF and R12-FCI energies for electron-electron and electron-hole systems. It was found that performance of the mean field approximation is worse for the electron-hole system as compared to the corresponding electron-electron system.

  6. Effects of electronic correlation, physical structure, and surface termination on the electronic structure of V2O3 nanowires

    Science.gov (United States)

    Tiano, Amanda L.; Li, Jing-bin; Sutter, Eli; Wong, Stanislaus S.; Fernández-Serra, M.-V.

    2012-09-01

    We report on a density functional theory (DFT) study of the electronic structure of vanadium sesquioxide (V2O3) in both bulk and nanowire form. In particular, our study focuses on the role of spin polarization and electronic correlations, as computed within the local (spin) density approximation (L(S)DA) and the LDA+U formalism. As expected for a mean-field approach such as DFT, our optimized bulk V2O3 structure is shown to be metallic in nature, while an adequate choice of the Hubbard U parameter (U = 4 eV) is enough to open the band gap, making the system insulating. However, this formalism predicts a nonmagnetic insulator, as opposed to the experimentally observed antiferromagnetic structure, to be the ground state. The electronic structure of the V2O3 nanowire system is more complex, and it strongly depends on the surface termination of the structures. Our results show that non-spin-polarized LDA calculations of 001-grown nanowires are metallic in nature. However, LSDA predicts that some surface terminations are half-metals, with a large band gap opening for one of the spins. When LSDA+U was used to study the nanowire model with a closed-shell oxygen surface termination, we observe insulating behavior with no net magnetic moment, with a 104 meV band gap. This is consistent with the experimentally observed gap recently reported in the literature for similar wires. To experimentally address the surface structure of these nanowires, we perform surface specific nano-Auger electron spectroscopy on as-synthesized V2O3 nanowires. Our experimental results show a higher O:V peak ratio (1.93:1) than expected for pure V2O3, thereby suggesting higher oxygen content at the surface of the nanowires. From our results, we conclude that oxygen termination is likely the termination for our as-synthesized V2O3 nanowires.

  7. Analysis of the enhanced negative correlation between electron density and electron temperature related to earthquakes

    Directory of Open Access Journals (Sweden)

    X. H. Shen

    2015-04-01

    Full Text Available Ionospheric perturbations in plasma parameters have been observed before large earthquakes, but the correlation between different parameters has been less studied in previous research. The present study is focused on the relationship between electron density (Ne and temperature (Te observed by the DEMETER (Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions satellite during local nighttime, in which a positive correlation has been revealed near the equator and a weak correlation at mid- and low latitudes over both hemispheres. Based on this normal background analysis, the negative correlation with the lowest percent in all Ne and Te points is studied before and after large earthquakes at mid- and low latitudes. The multiparameter observations exhibited typical synchronous disturbances before the Chile M8.8 earthquake in 2010 and the Pu'er M6.4 in 2007, and Te varied inversely with Ne over the epicentral areas. Moreover, statistical analysis has been done by selecting the orbits at a distance of 1000 km and ±7 days before and after the global earthquakes. Enhanced negative correlation coefficients lower than −0.5 between Ne and Te are found in 42% of points to be connected with earthquakes. The correlation median values at different seismic levels show a clear decrease with earthquakes larger than 7. Finally, the electric-field-coupling model is discussed; furthermore, a digital simulation has been carried out by SAMI2 (Sami2 is Another Model of the Ionosphere, which illustrates that the external electric field in the ionosphere can strengthen the negative correlation in Ne and Te at a lower latitude relative to the disturbed source due to the effects of the geomagnetic field. Although seismic activity is not the only source to cause the inverse Ne–Te variations, the present results demonstrate one possibly useful tool in seismo-electromagnetic anomaly differentiation, and a comprehensive analysis with multiple

  8. Ionization of a two-electron atom in a strong electromagnetic field

    International Nuclear Information System (INIS)

    Ovodova, O.V.; Popov, A.M.; Tikhonova, O.V.

    1997-01-01

    A one-dimensional model of a helium atom in an intense field of a femtosecond electromagnetic pulse has been constructed using the Hartree technique. 'Exact' calculations have been compared to the approximations of 'frozen' and 'passive' electrons. A nonmonotonic dependence of the single-electron ionization probability on the radiation intensity has been detected. Minima in the ionization probability are due to multiphoton resonances between different atomic states due to the dynamic Stark effect. We suggest that the ionization suppression is due to the interference stabilization in this case

  9. Strong suppression of shot noise in a feedback-controlled single-electron transistor

    Science.gov (United States)

    Wagner, Timo; Strasberg, Philipp; Bayer, Johannes C.; Rugeramigabo, Eddy P.; Brandes, Tobias; Haug, Rolf J.

    2017-03-01

    Feedback control of quantum mechanical systems is rapidly attracting attention not only due to fundamental questions about quantum measurements, but also because of its novel applications in many fields in physics. Quantum control has been studied intensively in quantum optics but progress has recently been made in the control of solid-state qubits as well. In quantum transport only a few active and passive feedback experiments have been realized on the level of single electrons, although theoretical proposals exist. Here we demonstrate the suppression of shot noise in a single-electron transistor using an exclusively electronic closed-loop feedback to monitor and adjust the counting statistics. With increasing feedback response we observe a stronger suppression and faster freezing of charge current fluctuations. Our technique is analogous to the generation of squeezed light with in-loop photodetection as used in quantum optics. Sub-Poisson single-electron sources will pave the way for high-precision measurements in quantum transport similar to optical or optomechanical equivalents.

  10. Strong overtones modes in inelastic electron tunneling spectroscopy with cross-conjugated molecules

    DEFF Research Database (Denmark)

    Jørgensen, Jacob Lykkebo; Gagliardi, Alessio; Pecchia, Alessandro

    2013-01-01

    that overtones are not observable in IETS. Here, overtones are predicted to be strong and, in some cases, the dominant spectroscopic features. We study the origin of the overtones and find that the interference features in these molecules are the key ingredient. The interference feature is a property...

  11. Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.

    Science.gov (United States)

    Sirjoosingh, Andrew; Pak, Michael V; Swalina, Chet; Hammes-Schiffer, Sharon

    2013-07-21

    The nuclear-electronic orbital (NEO) method treats electrons and select nuclei quantum mechanically on the same level to extend beyond the Born-Oppenheimer approximation. Electron-nucleus dynamical correlation has been found to be highly significant due to the attractive Coulomb interaction. The explicitly correlated Hartree-Fock (NEO-XCHF) approach includes explicit electron-nucleus correlation with Gaussian-type geminal functions during the variational optimization of the nuclear-electronic wavefunction. Although accurate for small model systems, the NEO-XCHF method is computationally impractical for larger chemical systems. In this paper, we develop the reduced explicitly correlated Hartree-Fock approach, denoted NEO-RXCHF, where only select electronic orbitals are explicitly correlated to the nuclear orbitals. By explicitly correlating only the relevant electronic orbitals to the nuclear orbitals, the NEO-RXCHF approach avoids problems that can arise when all electronic orbitals are explicitly correlated to the nuclear orbitals in the same manner. We examine three different NEO-RXCHF methods that differ in the treatment of the exchange between the geminal-coupled electronic orbitals and the other electronic orbitals: NEO-RXCHF-fe is fully antisymmetric with respect to exchange of all electronic coordinates and includes all electronic exchange terms; NEO-RXCHF-ne neglects the exchange between the geminal-coupled electronic orbitals and the other electronic orbitals; and NEO-RXCHF-ae includes approximate exchange terms between the geminal-coupled electronic orbitals and the other electronic orbitals. The latter two NEO-RXCHF methods offer substantial computational savings over the NEO-XCHF approach. The NEO-RXCHF approach is applicable to a wide range of chemical systems that exhibit non-Born-Oppenheimer effects between electrons and nuclei, as well as positron-containing molecular systems.

  12. Macroscopic quantum phenomena in strongly correlated fermionic systems; Phenomenes quantiques macroscopiques dans les systemes d'electrons fortement correles

    Energy Technology Data Exchange (ETDEWEB)

    Rech, J

    2006-06-15

    It took several years after the idea of a zero-temperature phase transition emerged to realize the impact of such a quantum critical point over a large region of the phase diagram. Observed in many experimental examples, this quantum critical regime is not yet understood in details theoretically, and one needs to develop new approaches. In the first part, we focused on the ferromagnetic quantum critical point. After constructing a controlled approach allowing us to describe the quantum critical regime, we show through the computation of the static spin susceptibility that the ferromagnetic quantum critical point is unstable, destroyed internally by an effective dynamic long-range interaction generated by the Landau damping. In the second part, we revisit the exactly screened single impurity Kondo model, using a bosonic representation of the local spin and treating it in the limit of large spin degeneracy N. We show that, in this regime, the ground-state is a non-trivial Fermi liquid, unlike what was advocated by previous similar studies. We then extend our method to encompass the physics of two coupled impurities, for which our results are qualitatively comparable to the ones obtained from various approaches carried out in the past. We also develop a Luttinger-Ward formalism, enabling us to cure some of the drawbacks of the original method used to describe the single impurity physics. Finally, we present the main ideas and the first results for an extension of the method towards the description of a Kondo lattice, relevant for the understanding of the quantum critical regime of heavy fermion materials. (authors)

  13. 18F-AV-1451 tau PET imaging correlates strongly with tau neuropathology in MAPT mutation carriers

    Science.gov (United States)

    Puschmann, Andreas; Schöll, Michael; Ohlsson, Tomas; van Swieten, John; Honer, Michael; Englund, Elisabet

    2016-01-01

    Abstract Tau positron emission tomography ligands provide the novel possibility to image tau pathology in vivo. However, little is known about how in vivo brain uptake of tau positron emission tomography ligands relates to tau aggregates observed post-mortem. We performed tau positron emission tomography imaging with 18F-AV-1451 in three patients harbouring a p.R406W mutation in the MAPT gene, encoding tau. This mutation results in 3- and 4-repeat tau aggregates similar to those in Alzheimer’s disease, and many of the mutation carriers initially suffer from memory impairment and temporal lobe atrophy. Two patients with short disease duration and isolated memory impairment exhibited 18F-AV-1451 uptake mainly in the hippocampus and adjacent temporal lobe regions, correlating with glucose hypometabolism in corresponding regions. One patient died after 26 years of disease duration with dementia and behavioural deficits. Pre-mortem, there was 18F-AV-1451 uptake in the temporal and frontal lobes, as well as in the basal ganglia, which strongly correlated with the regional extent and amount of tau pathology in post-mortem brain sections. Amyloid-β (18F-flutemetamol) positron emission tomography scans were negative in all cases, as were stainings of brain sections for amyloid. This provides strong evidence that 18F-AV-1451 positron emission tomography can be used to accurately quantify in vivo the regional distribution of hyperphosphorylated tau protein. PMID:27357347

  14. Strong electron-phonon interaction in the high-Tc superconductors: Evidence from the infrared

    International Nuclear Information System (INIS)

    Timusk, T.; Porter, C.D.; Tanner, D.B.

    1991-01-01

    We show that low-frequency structure in the infrared reflectance of the high-temperature superconductor YBa 2 Cu 3 O 7 results from the electron-phonon interaction. Characteristic antiresonant line shapes are seen in the phonon region of the spectrum and the frequency-dependent scattering rate of the mid-infrared electronic continuum has peaks at 150 cm -1 (19 meV) and at 360 cm -1 (45 meV) in good agreement with phonon density-of-states peaks in neutron time-of-flight spectra that develop in superconducting samples. The interaction between the phonons and the charge carriers can be understood in terms of a charged-phonon model

  15. Probing strong-field electron-nuclear dynamics of polyatomic molecules using proton motion

    International Nuclear Information System (INIS)

    Markevitch, Alexei N.; Smith, Stanley M.; Levis, Robert J.; Romanov, Dmitri A.

    2007-01-01

    Proton ejection during Coulomb explosion is studied for several structure-related organic molecules (anthracene, anthraquinone, and octahydroanthracene) subjected to 800 nm, 60 fs laser pulses at intensities from 0.50 to 4.0x10 14 W cm -2 . The proton kinetic energy distributions are found to be markedly structure specific. The distributions are bimodal for anthracene and octahydroanthracene and trimodal for anthraquinone. Maximum (cutoff) energies of the distributions range from 50 eV for anthracene to 83 eV for anthraquinone. The low-energy mode (∼10 eV) is most pronounced in octahydroanthracene. The dependence of the characteristic features of the distributions on the laser intensity provides insights into molecular specificity of such strong-field phenomena as (i) nonadiabatic charge localization and (ii) field-mediated restructuring of polyatomic molecules polarized by a strong laser field

  16. Reduction of the Thompson scattering cross section in a strong circularly polarized light field in a plasma with the change of its spectrum. “quantum-classical” electron

    Science.gov (United States)

    Korobkin, V. V.; Romanovsky, M. Yu.

    1992-12-01

    It is shown that in a strong circularly polarized laser field a classical electron motion around ions can occur. The scattering of these electrons in a plasma has the Thompson cross section in the limit of strongs field only and for a subrelativistic motion of the electrons. There are non-ion satellites apart from the basic frequency in the scattering spectrum.

  17. Correlated double electron capture in slow, highly charged ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Havener, C.C.; Phaneuf, R.A.; Swenson, J.K.; Shafroth, S.M.; Meyer, F.W.

    1986-01-01

    Recent measurements of autoionization electrons produced in slow, highly charged ion-atom collisions are reviewed. Mechanisms for double electron capture into equivalent and nonequivalent configurations are analyzed by comparing the probabilities for the creation of L/sub 1/L/sub 23/X Coster Kronig electrons and L-Auger electrons. It is shown that the production of the Coster-Kronig electrons is due to electron correlation effects whose analysis leads beyond the independent-particle model. The importance of correlation effects on different capture mechanisms is discussed. 28 refs., 6 figs.

  18. Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems† †Electronic supplementary information (ESI) available: Singlet–triplet energy gaps for CASSCF(4,4), CASSCF(8,8), DFP-1, DFP-3, and KS-DFT methods, numbers of CSFs with more significant figures, occupation numbers for HONO–1, HONO, LUNO and LUNO+1 for FP-1 and DFP-1, singlet–triplet energy gap (kcal mol–1) of decacene for DFP-1 partition with other geometries, singlet–triplet energy gap (kcal mol–1) of hexacene for different on-top functionals, molecular geometries, and absolute energies. See DOI: 10.1039/c6sc05036k Click here for additional data file.

    Science.gov (United States)

    Ghosh, Soumen

    2017-01-01

    Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation. Strongly correlated systems, i.e., systems with near-degeneracy correlation effects, are particularly troublesome. Multiconfigurational wave function methods based on an active space are adequate in principle, but it is impractical to capture most of the dynamic correlation in these methods for systems characterized by many active electrons. We recently developed a new method called multiconfiguration pair-density functional theory (MC-PDFT), that combines the advantages of wave function theory and density functional theory to provide a more practical treatment of strongly correlated systems. Here we present calculations of the singlet–triplet gaps in oligoacenes ranging from naphthalene to dodecacene. Calculations were performed for unprecedently large orbitally optimized active spaces of 50 electrons in 50 orbitals, and we test a range of active spaces and active space partitions, including four kinds of frontier orbital partitions. We show that MC-PDFT can predict the singlet–triplet splittings for oligoacenes consistent with the best available and much more expensive methods, and indeed MC-PDFT may constitute the benchmark against which those other models should be compared, given the absence of experimental data. PMID:28553509

  19. Theoretical analysis of the multiple resonances for many-level spin systems. The four-level spin system of s electron ions subjected to strong microwave fields

    International Nuclear Information System (INIS)

    Popescu, F.F.; Marica, F.

    1994-01-01

    The analytic steady state solutions of master equation for the density matrix of a multilevel spin system in dilute paramagnetic crystals at high temperature, subjected to strong microwave fields, are discussed. These solutions enable to obtain the populations of the levels, and the microwave powers absorbed or emitted by the crystal, in the presence of one, two or more microwave fields. A detailed theoretical study of the maser effects for s electron ions with nuclear spin one-half is carried out. In the case of three frequency correlated strong fields, when 'the spectroscopic' bridge conditions are fulfilled, sensitive detections, or high efficient generations of microwaves of frequency higher than those of the pumping fields are predicted. (author) 16 figs., 16 refs

  20. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

    Science.gov (United States)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  1. Possible correlation effects of surface state electrons on a solid hydrogen film

    NARCIS (Netherlands)

    Mugele, Friedrich Gunther; Albrecht, Uwe; Leiderer, Paul; Kono, Kimitoshi

    1992-01-01

    We have investigated the transport properties of surface state electrons on thin quench-condensed hydrogen films for various electron densities. The surface state electron mobility showed a continuous dependence on the plasma parameter Gamma in the range from 20 to 130, indicating a strong influence

  2. Electronic structure of disordered binary alloys with short range correlation in Bethe lattice

    International Nuclear Information System (INIS)

    Moreno, I.F.

    1987-01-01

    The determination of the electronic structure of a disordered material along the tight-binding model when applied to a Bethe lattice. The diagonal as well as off-diagonal disorder, are considered. The coordination number on the Bethe is fixed lattice to four (Z=4) that occurs in most compound semiconductors. The main proposal was to study the conditions under which a relatively simple model of a disordered material, i.e, a binary alloy, could account for the basic properties of transport or more specifically for the electronic states in such systems. By using a parametrization of the pair probability the behaviour of the electronic density of states (DOS) for different values of the short range order parameter, σ, which makes possible to treat the segregated, random and alternating cases, was analysed. In solving the problem via the Green function technique in the Wannier representation a linear chain of atoms was considered and using the solution of such a 1-D system the problem of the Bethe lattice which is constructed using such renormalized chains as elements, was solved. The results indicate that the obtained DOS are strongly dependent on the correlation assumed for the occupancy in the lattice. (author) [pt

  3. Strong anisotropy in the low temperature Compton profiles of electron momentum distribution in α-Ga metal

    International Nuclear Information System (INIS)

    Panda, B.P.; Mohapatra, N.C.

    2002-01-01

    Compton profiles of momentum distribution of conduction electrons in the orthorhombic phase of α-Ga metal at low temperature are calculated in the band model for the three crystallographic directions (100), (010), and (001). Unlike the results at room temperature, previously reported by Lengeler, Lasser and Mair, the present results show strong anisotropy in the Compton profiles with the momentum distribution along (001) direction being substantially different from the other two directions. While experimental data on Compton profiles at low temperatures are not available for comparison with theory, the resistivity data in α-Ga at low temperature strongly support this anisotropic behaviour. Besides, the electronic heat capacity constant γ available from both experiment and present calculation suggests that conduction electron distribution at low temperature in the orthorhombic phase is markedly different from the free-electron-like-distribution at room temperature, thus lending additional support to anisotropic behaviour of Compton profiles. It would be nice to have Compton profiles data from experiment at low temperature for direct comparison with theory. It is hoped that the present work would stimulate enough interest in that direction. (author)

  4. Spin excitations in systems with hopping electron transport and strong position disorder in a large magnetic field

    Science.gov (United States)

    Shumilin, A. V.

    2016-10-01

    We discuss the spin excitations in systems with hopping electron conduction and strong position disorder. We focus on the problem in a strong magnetic field when the spin Hamiltonian can be reduced to the effective single-particle Hamiltonian and treated with conventional numerical technics. It is shown that in a 3D system with Heisenberg exchange interaction the spin excitations have a delocalized part of the spectrum even in the limit of strong disorder, thus leading to the possibility of the coherent spin transport. The spin transport provided by the delocalized excitations can be described by a diffusion coefficient. Non-homogenous magnetic fields lead to the Anderson localization of spin excitations while anisotropy of the exchange interaction results in the Lifshitz localization of excitations. We discuss the possible effect of the additional exchange-driven spin diffusion on the organic spin-valve devices.

  5. Angular correlation and polarization studies for radiative electron capture into high-Z ions

    CERN Document Server

    Stöhlker, T; Fritzsche, S; Gumberidze, A; Kozhuharov, C; Ma, X; Orsic-Muthig, A; Spillmann, U; Sierpowski, D; Surzhykov, A; Tachenov, S; Warczak, A

    2004-01-01

    Recent photon correlation studies for Radiative Electron Capture into high-Z projectiles are reviewed. Emphasis is given to the investigation of polarization phenomena which are now accessible due to recent developments in position sensitive solid-states detectors. It is shown, that REC may provide a tool for the diagnostics and detection of the spinâ€"polarization of particles involved in atomic collisions. Also the impact of REC studies for atomic structure studies is outlined. Here the strong alignment of excited states induced by REC allowed us to observe an interference between competing decay branches for the case of the Lyman-α1 transition in hydrogen-like ions.

  6. NATO Advanced Research Workshop on Electron Correlation in New Materials and Nanosystems

    CERN Document Server

    Scharnberg, Kurt

    2007-01-01

    The articles collected in this book cover a wide range of materials with extraordinary superconducting and magnetic properties. For many of the materials studied, strong electronic correlations provide a link between these two phenomena which were long thought to be highly antagonistic. Both the progress in our understanding of fundamental physical processes and the advances made towards the development of devices are reported here. The materials studied come in a variety of forms and shapes from bulk to epitaxial films, nano- and heterostructures down to those involving single molecules and double quantum dots. In some cases the structuring serves the study of bulk properties. More often it is the change of these properties with nanostructuring and the properties of different materials in close proximity with each other that are of key interest because of possible application of these materials or heterostructures to quantum computing and spintronics.

  7. Electronic structure according to the orbital approximation and the Hartree-Fock theory with electron correlation methods

    OpenAIRE

    Abuzaid, N. (Nuha)

    2016-01-01

    Abstract Hartree-Fock theory, a computational method to solve electronic structure of molecules, is reviewed in this thesis. The emphasis is on spotlighting the physical reasoning behind the assumptions of the Hartree-Fock theory. Also, three post-Hartree-Fock electron correlation methods are introduced, configuration interaction, coupled cluster, and Møller-Plesset theory.

  8. Strong-field dissociation dynamics of NO2+: A multiphoton electronic or vibrational excitation?

    Science.gov (United States)

    Jochim, Bethany; Zohrabi, M.; Ablikim, U.; Gaire, B.; Anis, F.; Carnes, K. D.; Esry, B. D.; Ben-Itzhak, I.; Wells, E.; Uhlíková, T.

    2013-05-01

    We utilize a 3-D momentum imaging technique to study laser-induced dissociation of a metastable NO2+ beam into N++ O+. Using an estimated initial vibrational population, measured kinetic energy release and angular distribution spectra, and time-dependent Schrödinger equation calculations, we identify the most likely dissociation pathways. While lower intensity pulses (process underlying this highly-aligned feature is a multiphoton permanent dipole transition solely within the electronic ground state, leading to its continuum. Supported by the DOE Chemical Sciences, Geosciences, and Biosciences Division, Office of Science. BJ also by NSF (PHY-0851599) and DOE SCGF (DE-AC05-06OR23100), BJ and EW by NSF (PHY-0969687), and TU by GACR and MetaCentrum.

  9. DMFT at 25. Infinite dimensions. Lecutre notes of the Autumn school on correlated electrons 2014

    International Nuclear Information System (INIS)

    Pavarini, Eva; Koch, Erik; Vollhardt, Dieter; Lichtenstein, Alexander

    2014-01-01

    The following topics were dealt with: From Gutzwiller functions to dynamical mean-field theory, electronic structure of correlated materials, materials from an atonic viewpoint beyond the Landau paradigm, development of the LDA+DMFT approach, projectors and interactions, linear response functions, continuous-time QMC solvers for electronic systems in fermionic and bosonic baths, quantum cluster methods, making use of elf-energy functionals in the variational cluster approximation, dynamic vertex approximation, functional renormalization group approach to interacting Fermi systems, correlated electron dynamics and nonequilibrium dynamical mean-field theory, the one-step ARPES model, photoemission spectroscopy, correlation effects and electronic dimer formation in Ti 2 O 3 . (HSI)

  10. Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

    Science.gov (United States)

    Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.

    2017-11-01

    Diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3 d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et al. [Science 355, 371 (2017), 10.1126/science.aag0410] in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VO2, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development. With our reference data, the accuracy of both the energy and the electron density can be monitored simultaneously, which is useful for functional development. So far, this kind of detailed high accuracy reference data for correlated materials has been absent from the literature.

  11. Observation of topological surface states and strong electron/hole imbalance in extreme magnetoresistance compound LaBi

    Science.gov (United States)

    Jiang, J.; Schröter, N. B. M.; Wu, S.-C.; Kumar, N.; Shekhar, C.; Peng, H.; Xu, X.; Chen, C.; Yang, H. F.; Hwang, C.-C.; Mo, S.-K.; Felser, C.; Yan, B. H.; Liu, Z. K.; Yang, L. X.; Chen, Y. L.

    2018-02-01

    The recent discovery of the extreme magnetoresistance (XMR) in the nonmagnetic rare-earth monopnictides La X (X = P, As, Sb, Bi,), a recently proposed new topological semimetal family, has inspired intensive research effort in the exploration of the correlation between the XMR and their electronic structures. In this work, using angle-resolved photoemission spectroscopy to investigate the three-dimensional band structure of LaBi, we unraveled its topologically nontrivial nature with the observation of multiple topological surface Dirac fermions, as supported by our ab initio calculations. Furthermore, we observed substantial imbalance between the volume of electron and hole pockets, which rules out the electron-hole compensation as the primary cause of the XMR in LaBi.

  12. 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.

  13. Dihydroazulene Photochromism:Synthesis, Molecular Electronics and Hammett Correlations

    DEFF Research Database (Denmark)

    Broman, Søren Lindbæk

    This thesis describes the development of a versatile synthetic protocol for preparation of a large selection of dihydroazulenes (DHAs) with both electron withdrawing and donating groups. By UV-Vis and NMR spectroscopies and even in a single-molecule junction, their ability to undergo a light...... will be discussed in detail. The second chapter describes the design and synthesis of DHA/VHFs intended for use in molecular electronics and their solution and single-molecule junction switching properties. By the expansion of the recently reported procedure for functionalization of this system by Suzuki cross...

  14. A chloroplast DNA phylogeny of lilacs (Syringa, Oleaceae): plastome groups show a strong correlation with crossing groups.

    Science.gov (United States)

    Kim, K J; Jansen, R K

    1998-09-01

    Phylogenetic relationships and genomic compatibility were compared for 60 accessions of Syringa using chloroplast DNA (cpDNA) and nuclear ribosomal DNA (rDNA) markers. A total of 669 cpDNA variants, 653 of which were potentially phylogenetically informative, was detected using 22 restriction enzymes. Phylogenetic analyses reveal four strongly supported plastome groups that correspond to four genetically incompatible crossing groups. Relationships of the four plastome groups (I(II(III,IV))) correlate well with the infrageneric classification except for ser. Syringa and Pinnatifoliae. Group I, which includes subg. Ligustrina, forms a basal lineage within Syringa. Group II includes ser. Syringa and Pinnatifoliae and the two series have high compatibility and low sequence divergence. Group III consists of three well-defined species groups of ser. Pubescentes. Group IV comprises all members of ser. Villosae and has the lowest interspecific cpDNA sequence divergences. Comparison of cpDNA sequence divergence with crossability data indicates that hybrids have not been successfully generated between species with divergence greater than 0.7%. Hybrid barriers are strong among the four major plastome groups, which have sequence divergence estimates ranging from 1.096 to 1.962%. In contrast, fully fertile hybrids occur between species pairs with sequence divergence below 0.4%. Three regions of the plastome have length variants of greater than 100 bp, and these indels identify 12 different plastome types that correlate with phylogenetic trees produced from cpDNA restriction site data. Biparentally inherited nuclear rDNA and maternally inherited cpDNA length variants enable the identification of the specific parentage of several lilac hybrids.

  15. Electron correlation effects in the presence of non-symmetry dictated ...

    Indian Academy of Sciences (India)

    We numerically study the effect of non-symmetry dictated nodes (NSDN) on electron correlation effects for spinless electrons. We find that repulsive interaction between electrons can enhance the overlap between nearest neighbors in the tight binding Hamiltonian, in the presence of NSDN. Normally, in the absence of ...

  16. Electron correlation effects in the presence of non-symmetry dictated ...

    Indian Academy of Sciences (India)

    Abstract. We numerically study the effect of non-symmetry dictated nodes (NSDN) on electron correlation effects for spinless electrons. We find that repulsive interaction between electrons can enhance the overlap between nearest neighbors in the tight binding Hamiltonian, in the presence of. NSDN. Normally, in the ...

  17. Phonon frequency shift and effect of correlation on the electron ...

    Indian Academy of Sciences (India)

    P.G. Department of Physics, Sambalpur University, Jyoti Vihar, Burla 768 019, India. *. Institute of Physics ... observed magneto-elastic effect (coupling of phonon to thef-electrons), anisotropic Fermi surface, Kondo ... Considering the importance of the lanthanide contraction in these systems, the phonons are assumed to ...

  18. Electronic correlations in oligo-thiophene molecular crystals

    NARCIS (Netherlands)

    van den Brink, J.; Brocks, G.; Morpurgo, Alberto F.

    2005-01-01

    The Coulomb interaction between two holes on oligo-thiophene molecules is studied systematically as a function of the oligomer length using first principles density function calculations. The effect of molecular geometry relaxation upon this interaction is found to be small. In contrast, electronic

  19. Final Report - Composite Fermion Approach to Strongly Interacting Quasi Two Dimensional Electron Gas Systems

    Energy Technology Data Exchange (ETDEWEB)

    Quinn, John

    2009-11-30

    Work related to this project introduced the idea of an effective monopole strength Q* that acted as the effective angular momentum of the lowest shell of composite Fermions (CF). This allowed us to predict the angular momentum of the lowest band of energy states for any value of the applied magnetic field simply by determining N{sub QP} the number of quasielectrons (QE) or quasiholes (QH) in a partially filled CF shell and adding angular momenta of the N{sub QP} Fermions excitations. The approach reported treated the filled CF level as a vacuum state which could support QE and QH excitations. Numerical diagonalization of small systems allowed us to determine the angular momenta, the energy, and the pair interaction energies of these elementary excitations. The spectra of low energy states could then be evaluated in a Fermi liquid-like picture, treating the much smaller number of quasiparticles and their interactions instead of the larger system of N electrons with Coulomb interactions.

  20. Electronic transport through a quantum dot chain with strong dot-lead coupling

    International Nuclear Information System (INIS)

    Liu, Yu; Zheng, Yisong; Gong, Weijiang; Gao, Wenzhu; Lue, Tianquan

    2007-01-01

    By means of the non-equilibrium Green function technique, the electronic transport through an N-quantum-dot chain is theoretically studied. By calculating the linear conductance spectrum and the local density of states in quantum dots, we find the resonant peaks in the spectra coincides with the eigen-energies of the N-quantum-dot chain when the dot-lead coupling is relatively weak. With the increase of the dot-lead coupling, such a correspondence becomes inaccurate. When the dot-lead coupling exceeds twice the interdot coupling, such a mapping collapses completely. The linear conductance turn to reflect the eigen-energies of the (N-2)- or (N-1)-quantum dot chain instead. The two peripheral quantum dots do not manifest themselves in the linear conductance spectrum. More interestingly, with the further increase of the dot-lead coupling, the system behaves just like an (N-2)- or (N-1)-quantum dot chain in weak dot-lead coupling limit, since the resonant peaks becomes narrower with the increase of dot-lead coupling

  1. Ligand identification using electron-density map correlations

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.; Adams, Paul D.; Moriarty, Nigel W.; Cohn, Judith D.

    2007-01-01

    An automated ligand-fitting procedure is applied to (F o − F c )exp(iϕ c ) difference density for 200 commonly found ligands from macromolecular structures in the Protein Data Bank to identify ligands from density maps. A procedure for the identification of ligands bound in crystal structures of macromolecules is described. Two characteristics of the density corresponding to a ligand are used in the identification procedure. One is the correlation of the ligand density with each of a set of test ligands after optimization of the fit of that ligand to the density. The other is the correlation of a fingerprint of the density with the fingerprint of model density for each possible ligand. The fingerprints consist of an ordered list of correlations of each the test ligands with the density. The two characteristics are scored using a Z-score approach in which the correlations are normalized to the mean and standard deviation of correlations found for a variety of mismatched ligand-density pairs, so that the Z scores are related to the probability of observing a particular value of the correlation by chance. The procedure was tested with a set of 200 of the most commonly found ligands in the Protein Data Bank, collectively representing 57% of all ligands in the Protein Data Bank. Using a combination of these two characteristics of ligand density, ranked lists of ligand identifications were made for representative (F o − F c )exp(iϕ c ) difference density from entries in the Protein Data Bank. In 48% of the 200 cases, the correct ligand was at the top of the ranked list of ligands. This approach may be useful in identification of unknown ligands in new macromolecular structures as well as in the identification of which ligands in a mixture have bound to a macromolecule

  2. Strong asymmetry of hemispheric climates during MIS-13 inferred from correlating China loess and Antarctica ice records

    Directory of Open Access Journals (Sweden)

    Z. T. Guo

    2009-02-01

    Full Text Available We correlate the China loess and Antarctica ice records to address the inter-hemispheric climate link over the past 800 ka. The results show a broad coupling between Asian and Antarctic climates at the glacial-interglacial scale. However, a number of decoupled aspects are revealed, among which marine isotope stage (MIS 13 exhibits a strong anomaly compared with the other interglacials. It is characterized by unusually positive benthic oxygen (δ18O and carbon isotope (δ13C values in the world oceans, cooler Antarctic temperature, lower summer sea surface temperature in the South Atlantic, lower CO2 and CH4 concentrations, but by extremely strong Asian, Indian and African summer monsoons, weakest Asian winter monsoon, and lowest Asian dust and iron fluxes. Pervasive warm conditions were also evidenced by the records from northern high-latitude regions. These consistently indicate a warmer Northern Hemisphere and a cooler Southern Hemisphere, and hence a strong asymmetry of hemispheric climates during MIS-13. Similar anomalies of lesser extents also occurred during MIS-11 and MIS-5e. Thus, MIS-13 provides a case that the Northern Hemisphere experienced a substantial warming under relatively low concentrations of greenhouse gases. It suggests that the global climate system possesses a natural variability that is not predictable from the simple response of northern summer insolation and atmospheric CO2 changes. During MIS-13, both hemispheres responded in different ways leading to anomalous continental, marine and atmospheric conditions at the global scale. The correlations also suggest that the marine δ18O record is not always a reliable indicator of the northern ice-volume changes, and that the asymmetry of hemispheric climates is one of the prominent factors controlling the strength of Asian, Indian and African monsoon circulations, most likely through modulating the position of

  3. Strong Circular Dichroism in Photoelectron Diffraction from Nonchiral, Nonmagnetic Material—Direct Observation of Rotational Motion of Electrons

    Science.gov (United States)

    Daimon, Hiroshi; Nakatani, Takeshi; Imada, Shin; Suga, Shigemasa; Kagoshima, Yasushi; Miyahara, Tsuneaki

    1993-10-01

    Strong circular dichroism is found in 2-dimensional angular distribution patterns of the Si 2p photoelectrons from the Si(001) surface, which has no chirality and magnetism. The forward focusing peaks in the pattern rotate clockwise or counterclockwise when the helicity of the incident circularly polarized light is reversed. These rotations of the pattern are explained by rotational motion of photoelectrons around the nuclei. This is the first direct observation of the rotational motion of the electrons and clarifies the correspondence between the classical and the quantum mechanical ideas of angular momentum.

  4. Nonequilibrium self-energy functional theory. Accessing the real-time dynamics of strongly correlated fermionic lattice systems

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Felix

    2016-07-05

    The self-energy functional theory (SFT) is extended to the nonequilibrium case and applied to the real-time dynamics of strongly correlated lattice-fermions. Exploiting the basic structure of the well established equilibrium theory the entire formalism is reformulated in the language of Keldysh-Matsubara Green's functions. To this end, a functional of general nonequilibrium self-energies is constructed which is stationary at the physical point where it moreover yields the physical grand potential of the initial thermal state. Nonperturbative approximations to the full self-energy can be constructed by reducing the original lattice problem to smaller reference systems and varying the functional on the space of the respective trial self-energies, which are parametrized by the reference system's one-particle parameters. Approximations constructed in this way can be shown to respect the macroscopic conservation laws related to the underlying symmetries of the original lattice model. Assuming thermal equilibrium, the original SFT is recovered from the extended formalism. However, in the general case, the nonequilibrium variational principle comprises functional derivatives off the physical parameter space. These can be carried out analytically to derive inherently causal conditional equations for the optimal physical parameters of the reference system and a computationally realizable propagation scheme is set up. As a benchmark for the numerical implementation the variational cluster approach is applied to the dynamics of a dimerized Hubbard model after fast ramps of its hopping parameters. Finally, the time-evolution of a homogeneous Hubbard model after sudden quenches and ramps of the interaction parameter is studied by means of a dynamical impurity approximation with a single bath site. Sharply separated by a critical interaction at which fast relaxation to a thermal final state is observed, two differing response regimes can be distinguished, where the

  5. e - 2e Collisions near ionization threshold - electron correlations

    International Nuclear Information System (INIS)

    Mazeau, J.; Huetz, A.; Selles, P.

    1986-01-01

    The results presented in this report constitute the first direct experimental proof that a few (LSΠ) states definitely contribute to the near threshold ionization cross section. The Wannier Peterkop Rau theory is an useful tool to their understanding and a more precise determination of the angular correlation width is still needed. It has been shown that the values of the a LSΠ coefficients can be extracted from the observations. These are physically interesting quantities as they are directly related to the probability of forming Wannier ridge riding states above the double escape threshold, and considerable theoretical effort is presently in progress to investigate such states. (Auth.)

  6. Strong Correlation Between Isoprene Emission and Gross Photosynthetic Capacity During Leaf Phenology of the Tropical Tree Species Hymenaea courbaril

    Science.gov (United States)

    Kuhn, U.; Rottenberger, S.; Biesenthal, T.; Wolf, A.; Schebeske, G.; Ciccioli, P.; Kesselmeier, J.

    2004-12-01

    Composition and amount of volatile organic compound (VOC) emission of the tropical tree species Hymenaea courbaril was studied under different developmental stages at a remote Amazonian rainforest site. The different stages covered young leaves (= grown full in size, but not fully turgescent) in the end of the dry season, mature leaves in the end of dry and wet season, and senescent leaves in the end of dry season. Though the diel isoprene emissions pattern could adequately be modelled by a current isoprene algorithm, the basal emission capacity of isoprene changed considerably over the course of leaf development. The inadequacy of using one single standard emission factor to represent the VOC emission capacity of tropical vegetation for an entire seasonal cycle is obvious. A strong linear correlation between the isoprene emission capacity and the gross photosynthetic capacity (GPmax) covering all developmental stages and seasons was observed. Hence, basic leaf photosynthetic activity may offer a valuable basis to model the seasonal variation of isoprene emission, especially in tropical regions where the environmental conditions vary less than in temperate regions. Of special interest was the light dependent monoterpene emission found exclusively in the period between bud break and leave maturity. The finding of this temporary emergence of monoterpene emission may be of general interest in understanding both the ecological functions of isoprenoid production and the regulatory processes involved.

  7. Strong correlation between the 6-minute walk test and accelerometry functional outcomes in boys with Duchenne muscular dystrophy.

    Science.gov (United States)

    Davidson, Zoe E; Ryan, Monique M; Kornberg, Andrew J; Walker, Karen Z; Truby, Helen

    2015-03-01

    Accelerometry provides information on habitual physical capability that may be of value in the assessment of function in Duchenne muscular dystrophy. This preliminary investigation describes the relationship between community ambulation measured by the StepWatch activity monitor and the current standard of functional assessment, the 6-minute walk test, in ambulatory boys with Duchenne muscular dystrophy (n = 16) and healthy controls (n = 13). All participants completed a 6-minute walk test and wore the StepWatch™ monitor for 5 consecutive days. Both the 6-minute walk test and StepWatch accelerometry identified a decreased capacity for ambulation in boys with Duchenne compared to healthy controls. There were strong, significant correlations between 6-minute walk distance and all StepWatch parameters in affected boys only (r = 0.701-0.804). These data proffer intriguing observations that warrant further exploration. Specifically, accelerometry outcomes may compliment the 6-minute walk test in assessment of therapeutic interventions for Duchenne muscular dystrophy. © The Author(s) 2014.

  8. Correlated nuclear and electronic dynamics in photoionized systems studied by quantum and mixed quantum-classical approaches

    International Nuclear Information System (INIS)

    Li, Zheng

    2014-09-01

    The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe

  9. Global navigation satellite system detection of preseismic ionospheric total electron content anomalies for strong magnitude (Mw>6) Himalayan earthquakes

    Science.gov (United States)

    Sharma, Gopal; Champati ray, Prashant Kumar; Mohanty, Sarada; Gautam, Param Kirti Rao; Kannaujiya, Suresh

    2017-10-01

    Electron content in the ionosphere is very sensitive to temporary disturbances of the Earth's magnetosphere (geomagnetic storm), solar flares, and seismic activities. The Global Navigation Satellite System (GNSS)-based total electron content (TEC) measurement has emerged as an important technique for computations of earthquake precursor signals. We examined the pre-earthquake signatures for eight strong magnitude (Mw>6: 6.1 to 7.8) earthquakes with the aid of GNSS-based TEC measurement in the tectonically active Himalayan region using International GNSS Service (IGS) stations as well as local GNSS-based continuously operating reference stations (CORS). The results indicate very significant ionospheric anomalies in the vertical total electron content (vTEC) a few days before the main shock for all of the events. Geomagnetic activities were also studied during the TEC observation window to ascertain their role in ionospheric perturbations. It was also inferred that TEC variation due to low magnitude events could also be monitored if the epicenter lies closer to the GNSS or IGS station. Therefore, the study has confirmed TEC anomalies before major Himalayan earthquakes, thereby making it imperative to set up a much denser network of IGS/CORS for real-time data analysis and forewarning.

  10. Electronic bond structure of the H2+ ion in a strong magnetic field: A study of the parallel configuration

    International Nuclear Information System (INIS)

    Kappes, U.; Schmelcher, P.

    1995-01-01

    A large number of magnetically dressed states of the hydrogen molecular ion for parallel internuclear and magnetic field axes are investigated. The numerical calculations of the molecular states and potential-energy curves in the fixed-nuclei approximation are based on a recently established and optimized atomic orbital basis set. We study electronic states within the range 0≤|m|≤10 of magnetic quantum numbers and for several field strengths. In particular, we also investigate many excited states within a subspace for fixed magnetic quantum number and parity. In order to understand the influence of the magnetic field on theof excited molecular states, we perform a detailed comparison of the electronic probability distributions and potential-energy curves in the field-free space with those in the presence of a magnetic field. As a major result we observe the existence of two different classes of strongly bound, i.e., stable, magnetically dressed states whose corresponding counterparts in the field-free space exhibit purely repulsive potential-energy curves, i.e., are unstable. Corrections which are going beyond the fixed-nuclei approach, i.e., the coupling of the center of mass to the electronic motion, as well as the mass corrections are investigated in order to ensure the physical validity of our results

  11. Strong electron-hole symmetric Rashba spin-orbit coupling in graphene/monolayer transition metal dichalcogenide heterostructures

    Science.gov (United States)

    Yang, Bowen; Lohmann, Mark; Barroso, David; Liao, Ingrid; Lin, Zhisheng; Liu, Yawen; Bartels, Ludwig; Watanabe, Kenji; Taniguchi, Takashi; Shi, Jing

    2017-07-01

    Despite its extremely weak intrinsic spin-orbit coupling (SOC), graphene has been shown to acquire considerable SOC by proximity coupling with exfoliated transition metal dichalcogenides (TMDs). Here we demonstrate strong induced Rashba SOC in graphene that is proximity coupled to a monolayer TMD film, Mo S2 or WS e2 , grown by chemical-vapor deposition with drastically different Fermi level positions. Graphene/TMD heterostructures are fabricated with a pickup-transfer technique utilizing hexagonal boron nitride, which serves as a flat template to promote intimate contact and therefore a strong interfacial interaction between TMD and graphene as evidenced by quenching of the TMD photoluminescence. We observe strong induced graphene SOC that manifests itself in a pronounced weak-antilocalization (WAL) effect in the graphene magnetoconductance. The spin-relaxation rate extracted from the WAL analysis varies linearly with the momentum scattering time and is independent of the carrier type. This indicates a dominantly Dyakonov-Perel spin-relaxation mechanism caused by the induced Rashba SOC. Our analysis yields a Rashba SOC energy of ˜1.5 meV in graphene/WS e2 and ˜0.9 meV in graphene/Mo S2 . The nearly electron-hole symmetric nature of the induced Rashba SOC provides a clue to possible underlying SOC mechanisms.

  12. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite medium

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1981-01-01

    Results are found for the dynamical correlation functions (or its corresponding Green's functions) among any combination including operator pairs of electronic and nuclear spins in an antiferromagnet semi-infinite medium, at low temperatures T [pt

  13. Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution

    International Nuclear Information System (INIS)

    Mori, Toshifumi; Nakano, Katsuhiro; Kato, Shigeki

    2010-01-01

    The minimum energy conical intersection (MECI) optimization method with taking account of the dynamic electron correlation effect [T. Mori and S. Kato, Chem. Phys. Lett. 476, 97 (2009)] is extended to locate the MECI of nonequilibrium free energy surfaces in solution. A multistate electronic perturbation theory is introduced into the nonequilibrium free energy formula, which is defined as a function of solute and solvation coordinates. The analytical free energy gradient and interstate coupling vectors are derived, and are applied to locate MECIs in solution. The present method is applied to study the cis-trans photoisomerization reaction of a protonated Schiff base molecule (PSB3) in methanol (MeOH) solution. It is found that the effect of dynamic electron correlation largely lowers the energy of S 1 state. We also show that the solvation effect strongly stabilizes the MECI obtained by twisting the terminal C=N bond to become accessible in MeOH solution, whereas the conical intersection is found to be unstable in gas phase. The present study indicates that both electron correlation and solvation effects are important in the photoisomerization reaction of PSB3. The effect of counterion is also examined, and seems to be rather small in solution. The structures of free energy surfaces around MECIs are also discussed.

  14. Tsallis' entropy as a possible measure of the electron correlation in atomic systems

    Science.gov (United States)

    Flores-Gallegos, N.

    2018-01-01

    In this letter, we applied the discrete and continuous Tsallis' entropy, defined in terms of the occupation numbers and the electron density of atoms in their basal state. Our results show that only the discrete version of this entropy in the interval 0.0 the electron correlation effects of the systems, while the continuous expression in some cases presents negative values, and in general decreases when the correlation effects increase.

  15. Correlation effects in R-matrix calculations of electron-F2 elastic scattering cross sections.

    Science.gov (United States)

    Tarana, Michal; Horácek, Jirí

    2007-10-21

    Correlation effects are studied in electron scattering off the fluorine molecule. Fixed-nuclei approximation R-matrix calculations of the elastic collision cross sections are presented for a set of internuclear distances at three levels of correlation. The aim of this work is to study the role of electronic correlation on the properties of the 2Sigmau resonance. The Feshbach-Fano R-matrix method of resonance-background separation is used to study the effect of inclusion of various levels of correlation on the energy and width of the 2Sigmau resonance. Data required for construction of the nonlocal resonance model (construction of a discrete state and its coupling to the continuum) which allows the calculation of inelastic processes such as dissociative electron attachment and vibrational excitation [W. Domcke, Phys. Rep. 208, 97 (1991)] including the correlation are presented.

  16. Quantifying electronic correlation strength in a complex oxide: A combined DMFT and ARPES study of LaNiO3

    Science.gov (United States)

    Nowadnick, E. A.; Ruf, J. P.; Park, H.; King, P. D. C.; Schlom, D. G.; Shen, K. M.; Millis, A. J.

    2015-12-01

    The electronic correlation strength is a basic quantity that characterizes the physical properties of materials such as transition metal oxides. Determining correlation strengths requires both precise definitions and a careful comparison between experiment and theory. In this paper, we define the correlation strength via the magnitude of the electron self-energy near the Fermi level. For the case of LaNiO3, we obtain both the experimental and theoretical mass enhancements m⊙/m by considering high resolution angle-resolved photoemission spectroscopy (ARPES) measurements and density functional + dynamical mean field theory (DFT + DMFT) calculations. We use valence-band photoemission data to constrain the free parameters in the theory and demonstrate a quantitative agreement between the experiment and theory when both the realistic crystal structure and strong electronic correlations are taken into account. In addition, by considering DFT + DMFT calculations on epitaxially strained LaNiO3, we find a strain-induced evolution of m⊙/m in qualitative agreement with trends derived from optics experiments. These results provide a benchmark for the accuracy of the DFT + DMFT theoretical approach, and can serve as a test case when considering other complex materials. By establishing the level of accuracy of the theory, this work also will enable better quantitative predictions when engineering new emergent properties in nickelate heterostructures.

  17. Competition Between Radial Loss and EMIC Wave Scattering of MeV Electrons During Strong CME-shock Driven Storms

    Science.gov (United States)

    Hudson, M. K.; Jaynes, A. N.; Li, Z.; Malaspina, D.; Millan, R. M.; Patel, M.; Qin, M.; Shen, X.; Wiltberger, M. J.

    2017-12-01

    The two strongest storms of Solar Cycle 24, 17 March and 22 June 2015, provide a contrast between magnetospheric response to CME-shocks at equinox and solstice. The 17 March CME-shock initiated storm produced a stronger ring current response with Dst = - 223 nT, while the 22 June CME-shock initiated storm reached a minimum Dst = - 204 nT. The Van Allen Probes ECT instrument measured a dropout in flux for both events which can be characterized by magnetopause loss at higher L values prior to strong recovery1. However, rapid loss is seen at L 3 for the June storm at high energies with maximum drop in the 5.2 MeV channel of the REPT instrument coincident with the observation of EMIC waves in the H+ band by the EMFISIS wave instrument. The rapid time scale of loss can be determined from the 65 minute delay in passage of the Probe A relative to the Probe B spacecraft. The distinct behavior of lower energy electrons at higher L values has been modeled with MHD-test particle simulations, while the rapid loss of higher energy electrons is examined in terms of the minimum resonant energy criterion for EMIC wave scattering, and compared with the timescale for loss due to EMIC wave scattering which has been modeled for other storm events.2 1Baker, D. N., et al. (2016), Highly relativistic radiation belt electron acceleration, transport, and loss: Large solar storm events of March and June 2015, J. Geophys. Res. Space Physics, 121, 6647-6660, doi:10.1002/2016JA022502. 2Li, Z., et al. (2014), Investigation of EMIC wave scattering as the cause for the BARREL 17 January 2013 relativistic electron precipitation event: A quantitative comparison of simulation with observations, Geophys. Res. Lett., 41, 8722-8729, doi:10.1002/2014GL062273.

  18. Diverse Protocols for Correlative Super-Resolution Fluorescence Imaging and Electron Microscopy of Cells and Tissue

    Science.gov (United States)

    2016-05-25

    super - resolution fluorescence imaging and electron microscopy of cells and tissue Benjamin G. Kopek1, Maria G...have recently developed related approaches for super - resolution imaging within endogenous cellular environments using correlative light and electron...low as ~10 nm under ideal conditions), collectively dubbed “ super - resolution imaging ”5-10. A major super - resolution imaging modality is

  19. Nonlocality, Correlations, and Magnetotransport in a Spatially Modulated Two-Dimensional Electron Gas

    Science.gov (United States)

    Raichev, O. E.

    2018-04-01

    It is shown that the classical commensurability phenomena in weakly modulated two-dimensional electron systems is a manifestation of the intrinsic properties of the correlation functions describing a homogeneous electron gas in a magnetic field. The theory demonstrates the importance for consideration of nonlocal response and removes the gap between classical and quantum approaches to magnetotransport in such systems.

  20. ELECTRON-ION CORRELATION IN LIQUID-METALS FROM FIRST PRINCIPLES - LIQUID MG AND LIQUID PI

    NARCIS (Netherlands)

    DEWIJS, GA; PASTORE, G; SELLONI, A; VANDERLUGT, W

    1995-01-01

    We present a theoretical determination of electron-ion pair correlation functions g(ie) in liquid Mg and liquid Bi, two systems with widely different electronic and cohesive properties. Our calculations are based on first-principles molecular-dynamics simulations, which provide an accurate and

  1. Correlative Light and Electron Microscopy (CLEM) and its applications in infectious disease

    Science.gov (United States)

    2016-05-20

    Division, USAMRIID Abstract Correlative light and electron microscopy (CLEM) is an effective technique used to study biological samples. Signal...under the electron microscope (EM). Recent method developments provided breakthroughs creating an effective , direct, and accurate research...Examples include Lucifer yellow[67], Horseradish Peroxidase (HRP) conjugated IF antibodies [68] or co- expression with FP[69], boron-dipyrromethene (BODIPY

  2. Correlation effects in electron scattering and attachment by open-shell atoms

    International Nuclear Information System (INIS)

    Nesbet, R.K.

    1977-01-01

    Low energy scattering or attachment of an electron by a neutral atom is dominated by the polarization potential, formally an electronic correlation effect. Special problems arise in the quantitative theory of this effect for open-shell atoms. These problems are analyzed, and recent progress in resolving them is discussed

  3. High-precision correlative fluorescence and electron cryo microscopy using two independent alignment markers

    Energy Technology Data Exchange (ETDEWEB)

    Schellenberger, Pascale [Oxford Particle Imaging Centre, Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Kaufmann, Rainer [Oxford Particle Imaging Centre, Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Department of Biochemistry, University of Oxford, South Parks Road, Oxford OX1 3QU (United Kingdom); Siebert, C. Alistair; Hagen, Christoph [Oxford Particle Imaging Centre, Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Wodrich, Harald [Microbiologie Fondamentale et Pathogénicité, MFP CNRS UMR 5234, University of Bordeaux SEGALEN, 146 rue Leo Seignat, 33076 Bordeaux (France); Grünewald, Kay, E-mail: kay@strubi.ox.ac.uk [Oxford Particle Imaging Centre, Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom)

    2014-08-01

    Correlative light and electron microscopy (CLEM) is an emerging technique which combines functional information provided by fluorescence microscopy (FM) with the high-resolution structural information of electron microscopy (EM). So far, correlative cryo microscopy of frozen-hydrated samples has not reached better than micrometre range accuracy. Here, a method is presented that enables the correlation between fluorescently tagged proteins and electron cryo tomography (cryoET) data with nanometre range precision. Specifically, thin areas of vitrified whole cells are examined by correlative fluorescence cryo microscopy (cryoFM) and cryoET. Novel aspects of the presented cryoCLEM workflow not only include the implementation of two independent electron dense fluorescent markers to improve the precision of the alignment, but also the ability of obtaining an estimate of the correlation accuracy for each individual object of interest. The correlative workflow from plunge-freezing to cryoET is detailed step-by-step for the example of locating fluorescence-labelled adenovirus particles trafficking inside a cell. - Highlights: • Vitrified mammalian cell were imaged by fluorescence and electron cryo microscopy. • TetraSpeck fluorescence markers were added to correct shifts between cryo fluorescence channels. • FluoSpheres fiducials were used as reference points to assign new coordinates to cryoEM images. • Adenovirus particles were localised with an average correlation precision of 63 nm.

  4. Application of constrained deconvolution technique for reconstruction of electron bunch profile with strongly non-Gaussian shape

    International Nuclear Information System (INIS)

    Geloni, G.; Saldin, E.L.; Schneidmiller, E.A.; Yurkov, M.V.

    2004-01-01

    An effective and practical technique based on the detection of the coherent synchrotron radiation (CSR) spectrum can be used to characterize the profile function of ultra-short bunches. The CSR spectrum measurement has an important limitation: no spectral phase information is available, and the complete profile function cannot be obtained in general. In this paper we propose to use constrained deconvolution method for bunch profile reconstruction based on a priori-known information about formation of the electron bunch. Application of the method is illustrated with practically important example of a bunch formed in a single bunch-compressor. Downstream of the bunch compressor the bunch charge distribution is strongly non-Gaussian with a narrow leading peak and a long tail. The longitudinal bunch distribution is derived by measuring the bunch tail constant with a streak camera and by using a priory available information about profile function

  5. Application of constrained deconvolution technique for reconstruction of electron bunch profile with strongly non-Gaussian shape

    Science.gov (United States)

    Geloni, G.; Saldin, E. L.; Schneidmiller, E. A.; Yurkov, M. V.

    2004-08-01

    An effective and practical technique based on the detection of the coherent synchrotron radiation (CSR) spectrum can be used to characterize the profile function of ultra-short bunches. The CSR spectrum measurement has an important limitation: no spectral phase information is available, and the complete profile function cannot be obtained in general. In this paper we propose to use constrained deconvolution method for bunch profile reconstruction based on a priori-known information about formation of the electron bunch. Application of the method is illustrated with practically important example of a bunch formed in a single bunch-compressor. Downstream of the bunch compressor the bunch charge distribution is strongly non-Gaussian with a narrow leading peak and a long tail. The longitudinal bunch distribution is derived by measuring the bunch tail constant with a streak camera and by using a priory available information about profile function.

  6. Coordinate transformation based cryo-correlative methods for electron tomography and focused ion beam milling

    International Nuclear Information System (INIS)

    Fukuda, Yoshiyuki; Schrod, Nikolas; Schaffer, Miroslava; Feng, Li Rebekah; Baumeister, Wolfgang; Lucic, Vladan

    2014-01-01

    Correlative microscopy allows imaging of the same feature over multiple length scales, combining light microscopy with high resolution information provided by electron microscopy. We demonstrate two procedures for coordinate transformation based correlative microscopy of vitrified biological samples applicable to different imaging modes. The first procedure aims at navigating cryo-electron tomography to cellular regions identified by fluorescent labels. The second procedure, allowing navigation of focused ion beam milling to fluorescently labeled molecules, is based on the introduction of an intermediate scanning electron microscopy imaging step to overcome the large difference between cryo-light microscopy and focused ion beam imaging modes. These methods make it possible to image fluorescently labeled macromolecular complexes in their natural environments by cryo-electron tomography, while minimizing exposure to the electron beam during the search for features of interest. - Highlights: • Correlative light microscopy and focused ion beam milling of vitrified samples. • Coordinate transformation based cryo-correlative method. • Improved correlative light microscopy and cryo-electron tomography

  7. Graphene-enabled electron microscopy and correlated super-resolution microscopy of wet cells.

    Science.gov (United States)

    Wojcik, Michal; Hauser, Margaret; Li, Wan; Moon, Seonah; Xu, Ke

    2015-06-11

    The application of electron microscopy to hydrated biological samples has been limited by high-vacuum operating conditions. Traditional methods utilize harsh and laborious sample dehydration procedures, often leading to structural artefacts and creating difficulties for correlating results with high-resolution fluorescence microscopy. Here, we utilize graphene, a single-atom-thick carbon meshwork, as the thinnest possible impermeable and conductive membrane to protect animal cells from vacuum, thus enabling high-resolution electron microscopy of wet and untreated whole cells with exceptional ease. Our approach further allows for facile correlative super-resolution and electron microscopy of wet cells directly on the culturing substrate. In particular, individual cytoskeletal actin filaments are resolved in hydrated samples through electron microscopy and well correlated with super-resolution results.

  8. Correlated cryo-fluorescence and cryo-electron microscopy with high spatial precision and improved sensitivity

    International Nuclear Information System (INIS)

    Schorb, Martin; Briggs, John A.G.

    2014-01-01

    Performing fluorescence microscopy and electron microscopy on the same sample allows fluorescent signals to be used to identify and locate features of interest for subsequent imaging by electron microscopy. To carry out such correlative microscopy on vitrified samples appropriate for structural cryo-electron microscopy it is necessary to perform fluorescence microscopy at liquid-nitrogen temperatures. Here we describe an adaptation of a cryo-light microscopy stage to permit use of high-numerical aperture objectives. This allows high-sensitivity and high-resolution fluorescence microscopy of vitrified samples. We describe and apply a correlative cryo-fluorescence and cryo-electron microscopy workflow together with a fiducial bead-based image correlation procedure. This procedure allows us to locate fluorescent bacteriophages in cryo-electron microscopy images with an accuracy on the order of 50 nm, based on their fluorescent signal. It will allow the user to precisely and unambiguously identify and locate objects and events for subsequent high-resolution structural study, based on fluorescent signals. - Highlights: • Workflow for correlated cryo-fluorescence and cryo-electron microscopy. • Cryo-fluorescence microscopy setup incorporating a high numerical aperture objective. • Fluorescent signals located in cryo-electron micrographs with 50 nm spatial precision

  9. Correlated cryo-fluorescence and cryo-electron microscopy with high spatial precision and improved sensitivity

    Energy Technology Data Exchange (ETDEWEB)

    Schorb, Martin [Structural and Computational Biology Unit, European Molecular Biology Laboratory, D-69117 Heidelberg (Germany); Briggs, John A.G., E-mail: john.briggs@embl.de [Structural and Computational Biology Unit, European Molecular Biology Laboratory, D-69117 Heidelberg (Germany); Cell Biology and Biophysics Unit, European Molecular Biology Laboratory, D-69117 Heidelberg (Germany)

    2014-08-01

    Performing fluorescence microscopy and electron microscopy on the same sample allows fluorescent signals to be used to identify and locate features of interest for subsequent imaging by electron microscopy. To carry out such correlative microscopy on vitrified samples appropriate for structural cryo-electron microscopy it is necessary to perform fluorescence microscopy at liquid-nitrogen temperatures. Here we describe an adaptation of a cryo-light microscopy stage to permit use of high-numerical aperture objectives. This allows high-sensitivity and high-resolution fluorescence microscopy of vitrified samples. We describe and apply a correlative cryo-fluorescence and cryo-electron microscopy workflow together with a fiducial bead-based image correlation procedure. This procedure allows us to locate fluorescent bacteriophages in cryo-electron microscopy images with an accuracy on the order of 50 nm, based on their fluorescent signal. It will allow the user to precisely and unambiguously identify and locate objects and events for subsequent high-resolution structural study, based on fluorescent signals. - Highlights: • Workflow for correlated cryo-fluorescence and cryo-electron microscopy. • Cryo-fluorescence microscopy setup incorporating a high numerical aperture objective. • Fluorescent signals located in cryo-electron micrographs with 50 nm spatial precision.

  10. Many-body theory of electron correlations in atoms: RPAE and beyond

    International Nuclear Information System (INIS)

    Amusia, M.Ya.

    1996-01-01

    It is demonstrated how the correlations of electrons manifest themselves in photoionization of atoms. The diagrammatical technique, convenient and transparent, is applied to study this and related processes. Choosing as the best one particle the Hartree-Fock approximation, the first considerable step in accounting for electron correlations is made by constructing the Random Phase Approximation with Exchange. Its generalizations are also described, which include rearrangement of electron shells due to vacancies creation and decay. Attention is given to ''two electron-two vacancy'' excitations, formation of the negative ions and their photoionization as well as to satellites and ''shadows''. The direct knock-out of secondary particles, electrons and photons, by photoelectrons is considered. Formation of multiply-charged ions and above threshold phenomena, mainly multistep PCI, are discussed. Future of the domain: new atom-like objects and next steps in theoretical studies are outlined. (author)

  11. Magnetism of small Cr clusters: Structure, magnetic order and electron correlation effects

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Diaz, Pedro; Chavez, Jose Luis Ricardo; Dorantes Davila, Jesus; Pastor, Gustavo [Institut fuer Theoretische Physik, Universitaet Kassel (Germany)

    2010-07-01

    The magnetic properties of small Cr{sub N} clusters (N{<=}6) are investigated in the framework of density-functional theory (DFT). The interplay between electron correlations, cluster structure and magnetic order is quantified by performing fully non-collinear spin-unrestricted calculations. Results obtained using the spin-polarized local density approximation (LDA) and the generalized-gradient approximation (GGA) are contrasted. A dimer-based growth pattern is found in all considered low-lying isomers, with very short equilibrium bond lengths (typically d{sub eq}{sup GGA}=1.55-1.65 A) alternating with relative long ones (typically d{sub eq}{sup GGA}=2.75-2.85 A). Strong local magnetic moments vector {mu}{sub i} are obtained for the relaxed geometries which show a collinear magnetic order with antiparallel (parallel) alignment of the vector {mu}{sub i} along the short (long) bonds. Despite quantitative differences, both LDA and GGA functionals yield collinear ground-state solutions for the fully relaxed structures, non-collinear spin arrangements are found only for particular highly symmetric (non dimerized) geometries. The present work demonstrates that the magnetic frustration in compact Cr clusters, is solved by dimerization rather than by non-collinearity of the local moments. Finally, implications of the present trends for the ground-state structure and magnetism of larger Cr{sub N} clusters are discussed.

  12. Correlative cryo-fluorescence light microscopy and cryo-electron tomography of Streptomyces.

    Science.gov (United States)

    Koning, Roman I; Celler, Katherine; Willemse, Joost; Bos, Erik; van Wezel, Gilles P; Koster, Abraham J

    2014-01-01

    Light microscopy and electron microscopy are complementary techniques that in a correlative approach enable identification and targeting of fluorescently labeled structures in situ for three-dimensional imaging at nanometer resolution. Correlative imaging allows electron microscopic images to be positioned in a broader temporal and spatial context. We employed cryo-correlative light and electron microscopy (cryo-CLEM), combining cryo-fluorescence light microscopy and cryo-electron tomography, on vitrified Streptomyces bacteria to study cell division. Streptomycetes are mycelial bacteria that grow as long hyphae and reproduce via sporulation. On solid media, Streptomyces subsequently form distinct aerial mycelia where cell division leads to the formation of unigenomic spores which separate and disperse to form new colonies. In liquid media, only vegetative hyphae are present divided by noncell separating crosswalls. Their multicellular life style makes them exciting model systems for the study of bacterial development and cell division. Complex intracellular structures have been visualized with transmission electron microscopy. Here, we describe the methods for cryo-CLEM that we applied for studying Streptomyces. These methods include cell growth, fluorescent labeling, cryo-fixation by vitrification, cryo-light microscopy using a Linkam cryo-stage, image overlay and relocation, cryo-electron tomography using a Titan Krios, and tomographic reconstruction. Additionally, methods for segmentation, volume rendering, and visualization of the correlative data are described. © 2014 Elsevier Inc. All rights reserved.

  13. Unconventional superconductivity in cuprates, cobaltates and graphene. What is universal and what is material-dependent in strongly versus weakly correlated materials?

    International Nuclear Information System (INIS)

    Kiesel, Maximilian Ludwig

    2013-01-01

    A general theory for all classes of unconventional superconductors is still one of the unsolved key issues in condensed-matter physics. Actually, it is not yet fully settled if there is a common underlying pairing mechanism. Instead, it might be possible that several distinct sources for unconventional (not phonon-mediated) superconductivity have to be considered, or an electron-phonon interaction is not negligible. The focus of this thesis is on the most probable mechanism for the formation of Cooper pairs in unconventional superconductors, namely a strictly electronic one where spin fluctuations are the mediators. Studying different superconductors in this thesis, the emphasis is put on material-independent features of the pairing mechanism. In addition, the investigation of the phase diagrams enables a view on the vicinity of superconductivity. Thus, it is possible to clarify which competing quantum fluctuations enhance or weaken the propensity for a superconducting state. The broad range of superconducting materials requires the use of more than one numerical technique to study an appropriate microscopic description. This is not a problem but a big advantage because this facilitates the approach-independent description of common underlying physics. For this evaluation, the strongly correlated cuprates are simulated with the variational cluster approach. Especially the question of a pairing glue is taken into consideration. Furthermore, it is possible to distinguish between retarded and non-retarded contributions to the gap function. The cuprates are confronted with the cobaltate Na x CoO 2 and graphene. These weakly correlated materials are investigated with the functional renormalization group (fRG) and reveal a comprehensive phase diagram, including a d+id-wave superconductivity, which breaks time-reversal symmetry. The corresponding gap function is nodeless, but for NaCoO, it features a doping-dependent anisotropy. In addition, some general considerations on

  14. Unconventional superconductivity in cuprates, cobaltates and graphene. What is universal and what is material-dependent in strongly versus weakly correlated materials?

    Energy Technology Data Exchange (ETDEWEB)

    Kiesel, Maximilian Ludwig

    2013-02-08

    A general theory for all classes of unconventional superconductors is still one of the unsolved key issues in condensed-matter physics. Actually, it is not yet fully settled if there is a common underlying pairing mechanism. Instead, it might be possible that several distinct sources for unconventional (not phonon-mediated) superconductivity have to be considered, or an electron-phonon interaction is not negligible. The focus of this thesis is on the most probable mechanism for the formation of Cooper pairs in unconventional superconductors, namely a strictly electronic one where spin fluctuations are the mediators. Studying different superconductors in this thesis, the emphasis is put on material-independent features of the pairing mechanism. In addition, the investigation of the phase diagrams enables a view on the vicinity of superconductivity. Thus, it is possible to clarify which competing quantum fluctuations enhance or weaken the propensity for a superconducting state. The broad range of superconducting materials requires the use of more than one numerical technique to study an appropriate microscopic description. This is not a problem but a big advantage because this facilitates the approach-independent description of common underlying physics. For this evaluation, the strongly correlated cuprates are simulated with the variational cluster approach. Especially the question of a pairing glue is taken into consideration. Furthermore, it is possible to distinguish between retarded and non-retarded contributions to the gap function. The cuprates are confronted with the cobaltate Na{sub x}CoO{sub 2} and graphene. These weakly correlated materials are investigated with the functional renormalization group (fRG) and reveal a comprehensive phase diagram, including a d+id-wave superconductivity, which breaks time-reversal symmetry. The corresponding gap function is nodeless, but for NaCoO, it features a doping-dependent anisotropy. In addition, some general

  15. Pseudoclassical approach to electron and ion density correlations in simple liquid metals

    International Nuclear Information System (INIS)

    Vericat, F.; Tosi, M.P.; Pastore, G.

    1986-04-01

    Electron-electron and electron-ion structural correlations in simple liquid metals are treated by using effective pair potentials to incorporate quantal effects into a pseudoclassical description of the electron fluid. An effective pair potential between simultaneous electron density fluctuations is first constructed from known properties of the degenerate jellium model, which are the plasmon sum rule, the Kimball-Niklasson relation and Yasuhara's values of the electron pair distribution function at contact. An analytic expression is thereby obtained in the Debye-Hueckel approximation for the electronic structure factor in jellium over a range of density appropriate to metals, with results which compare favourably with those of fully quantal evaluations. A simple pseudoclassical model is then set up for a liquid metal: this involves a model of charged hard spheres for the ion-ion potential and an empty core model for the electron-ion potential, the Coulombic tails being scaled as required by the relation between the long-wavelength partial structure factors and the isothermal compressibility of the metal. The model is solved analytically by a pseudoclassical linear response treatment of the electron-ion coupling and numerical results are reported for partial structure factors in liquid sodium and liquid beryllium. Contact is made for the latter system with data on the electron-electron structure factor in the crystal from inelastic X-ray scattering experiments of Eisenberger, Marra and Brown. (author)

  16. Correlative super-resolution fluorescence and electron microscopy using conventional fluorescent proteins in vacuo.

    Science.gov (United States)

    Peddie, Christopher J; Domart, Marie-Charlotte; Snetkov, Xenia; O'Toole, Peter; Larijani, Banafshe; Way, Michael; Cox, Susan; Collinson, Lucy M

    2017-08-01

    Super-resolution light microscopy, correlative light and electron microscopy, and volume electron microscopy are revolutionising the way in which biological samples are examined and understood. Here, we combine these approaches to deliver super-accurate correlation of fluorescent proteins to cellular structures. We show that YFP and GFP have enhanced blinking properties when embedded in acrylic resin and imaged under partial vacuum, enabling in vacuo single molecule localisation microscopy. In conventional section-based correlative microscopy experiments, the specimen must be moved between imaging systems and/or further manipulated for optimal viewing. These steps can introduce undesirable alterations in the specimen, and complicate correlation between imaging modalities. We avoided these issues by using a scanning electron microscope with integrated optical microscope to acquire both localisation and electron microscopy images, which could then be precisely correlated. Collecting data from ultrathin sections also improved the axial resolution and signal-to-noise ratio of the raw localisation microscopy data. Expanding data collection across an array of sections will allow 3-dimensional correlation over unprecedented volumes. The performance of this technique is demonstrated on vaccinia virus (with YFP) and diacylglycerol in cellular membranes (with GFP). Copyright © 2017. Published by Elsevier Inc.

  17. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    International Nuclear Information System (INIS)

    Sun, Jianwei; Yang, Zenghui; Peng, Haowei; Perdew, John P.

    2016-01-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  18. Studies of electron correlation effects in multicharged ion atom collisions involving double capture

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Sommer, K.; Griffin, D.C.; Havener, C.C.; Huq, M.S.; Phaneuf, R.A.; Swenson, J.K.; Meyer, F.W.

    1988-01-01

    We review measurements of L-Coster Kronig and Auger electron production in slow, multicharged collision systems to study electron correlation effects in the process of double electron capture. The n/sup /minus/3/ law was confirmed for the production of the Coster-Kronig configurations 1s/sup 2/2pn/ell/ (n greater than or equal to 6) in O/sup 6 +/ + He collisions. Enhancement of high angular momentum /ell/ in specific 1s/sup 2/2pn/ell/ configurations was observed by means of high-resolution measurements of the Coster-Kronig lines. The importance of electron correlation effects in couplings of potential energy curves leading to the 1s/sup 2/2pn/ell/ configurations is verified by means of Landau-Zener model calculations. 32 refs., 4 figs.

  19. Correlation between the electron-phonon coupling and rectifying performance for poly(3-hexylthiophene)/n-type Si devices

    International Nuclear Information System (INIS)

    Lin, Yow-Jon; Chin, Yi-Min

    2014-01-01

    A correlation between the electron-phonon coupling and rectifying performance is identified for poly(3-hexylthiophene) (P3HT)/n-type Si devices and an analysis using the temperature-dependent Hall-effect characteristics is presented. The carrier mobility in the P3HT film exhibits strong temperature dependence, indicating the dominance of tunneling. However, the incorporation of titanium oxide (TiO 2 ) nanoparticles into P3HT leads to the dominance of hopping. The results demonstrate that the incorporation of TiO 2 nanoparticles into P3HT influences the electrical property of P3HT/n-type Si devices by the electron-phonon coupling modification and the increased spacing between molecules that serve to enhance the carrier mobility in P3HT

  20. Electronic Band Structure of BaCo_{2}As_{2}: A Fully Doped Ferropnictide Analog with Reduced Electronic Correlations

    Directory of Open Access Journals (Sweden)

    N. Xu

    2013-01-01

    Full Text Available We report an investigation with angle-resolved photoemission spectroscopy of the Fermi surface and electronic band structure of BaCo_{2}As_{2}. Although its quasinesting-free Fermi surface differs drastically from that of its Fe-pnictide cousins, we show that the BaCo_{2}As_{2} system can be used as an approximation to the bare unoccupied band structure of the related BaFe_{2-x}Co_{x}As_{2} and Ba_{1-x}K_{x}Fe_{2}As_{2} compounds. However, our experimental results, in agreement with dynamical-mean-field-theory calculations, indicate that electronic correlations are much less important in BaCo_{2}As_{2} than in the ferropnictides. Our findings suggest that this effect is due to the increased filling of the electronic 3d shell in the presence of significant Hund’s exchange coupling.

  1. Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method

    Science.gov (United States)

    DePrince, A. Eugene; Mazziotti, David A.

    2010-01-01

    The parametric variational two-electron reduced-density-matrix (2-RDM) method is applied to computing electronic correlation energies of medium-to-large molecular systems by exploiting the spatial locality of electron correlation within the framework of the cluster-in-molecule (CIM) approximation [S. Li et al., J. Comput. Chem. 23, 238 (2002); J. Chem. Phys. 125, 074109 (2006)]. The 2-RDMs of individual molecular fragments within a molecule are determined, and selected portions of these 2-RDMs are recombined to yield an accurate approximation to the correlation energy of the entire molecule. In addition to extending CIM to the parametric 2-RDM method, we (i) suggest a more systematic selection of atomic-orbital domains than that presented in previous CIM studies and (ii) generalize the CIM method for open-shell quantum systems. The resulting method is tested with a series of polyacetylene molecules, water clusters, and diazobenzene derivatives in minimal and nonminimal basis sets. Calculations show that the computational cost of the method scales linearly with system size. We also compute hydrogen-abstraction energies for a series of hydroxyurea derivatives. Abstraction of hydrogen from hydroxyurea is thought to be a key step in its treatment of sickle cell anemia; the design of hydroxyurea derivatives that oxidize more rapidly is one approach to devising more effective treatments.

  2. Towards correlative super-resolution fluorescence and electron cryo-microscopy

    OpenAIRE

    Wolff, Georg; Hagen, Christoph; Gr?newald, Kay; Kaufmann, Rainer

    2016-01-01

    Correlative light and electron microscopy (CLEM) has become a powerful tool in life sciences. Particularly cryo-CLEM, the combination of fluorescence cryo-microscopy (cryo-FM) permitting for non-invasive specific multi-colour labelling, with electron cryo-microscopy (cryo-EM) providing the undisturbed structural context at a resolution down to the ?ngstrom range, has enabled a broad range of new biological applications. Imaging rare structures or events in crowded environments, such as inside...

  3. High-resolution imaging by scanning electron microscopy of semithin sections in correlation with light microscopy.

    Science.gov (United States)

    Koga, Daisuke; Kusumi, Satoshi; Shodo, Ryusuke; Dan, Yukari; Ushiki, Tatsuo

    2015-12-01

    In this study, we introduce scanning electron microscopy (SEM) of semithin resin sections. In this technique, semithin sections were adhered on glass slides, stained with both uranyl acetate and lead citrate, and observed with a backscattered electron detector at a low accelerating voltage. As the specimens are stained in the same manner as conventional transmission electron microscopy (TEM), the contrast of SEM images of semithin sections was similar to TEM images of ultrathin sections. Using this technique, wide areas of semithin sections were also observed by SEM, without the obstruction of grids, which was inevitable for traditional TEM. This study also applied semithin section SEM to correlative light and electron microscopy. Correlative immunofluorescence microscopy and immune-SEM were performed in semithin sections of LR white resin-embedded specimens using a FluoroNanogold-labeled secondary antibody. Because LR white resin is hydrophilic and electron stable, this resin is suitable for immunostaining and SEM observation. Using correlative microscopy, the precise localization of the primary antibody was demonstrated by fluorescence microscopy and SEM. This method has great potential for studies examining the precise localization of molecules, including Golgi- and ER-associated proteins, in correlation with LM and SEM. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  4. Neutron-electron EDM correlations in supersymmetry and prospects for EDM searches

    International Nuclear Information System (INIS)

    Abel, Steven A.; Lebedev, Oleg

    2006-01-01

    Motivated by recent progress in experimental techniques of electric dipole moment (EDM) measurements, we study correlations between the neutron and electron EDMs in common supersymmetric models. These include minimal supergravity (mSUGRA) with small CP phases, mSUGRA with a heavy SUSY spectrum, the decoupling scenario and split SUSY. In most cases, the electron and neutron EDMs are found to be observable in the next round of EDM experiments. They exhibit certain correlation patterns. For example, if d n ∼ 10 -27 e cm is found, d e is predicted to lie in the range 10 -28 -10 -29 e cm

  5. Neutron-electron EDM correlations in supersymmetry and prospects for EDM searches

    International Nuclear Information System (INIS)

    Abel, S.A.

    2005-08-01

    Motivated by recent progress in experimental techniques of electric dipole moment (EDM) measurements, we study correlations between the neutron and electron EDMs in common supersymmetric models. These include minimal supergravity (mSUGRA) with small CP phases, mSUGRA with a heavy SUSY spectrum, the decoupling scenario and split SUSY. In most cases, the electron and neutron EDMs are found to be observable in the next round of EDM experiments. They exhibit certain correlation patterns. For example, if d n ∝ 10 -27 e cm is found, d e is predicted to lie in the range 10 -28 - 10 -29 e cm. (orig.)

  6. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite media

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1980-01-01

    Results are found for the correlation dynamic functions (or the correspondent green functions) between any combination including pairs of electronic anel nuclear spin operators in an antiferromagnet semi-infinite media., at low temperature T N . These correlation functions, are used to investigate, at the same time, the properties of surface spin waves in volume and surface. The dispersion relatons of nuclear and electronic spin waves coupled modes, in surface are found, resolving a system of linearized equatons of spin operators a system of linearized equations of spin operators. (author) [pt

  7. Comparison of simultaneous variations of the ionospheric total electron content and geomagnetic field associated with strong earthquakes

    Directory of Open Access Journals (Sweden)

    Sh. Naaman

    2001-01-01

    Full Text Available In this paper, perturbations of the ionospheric Total Electron Content (TEC are compared with geomagnetic oscillations. Comparison is made for a few selected periods, some during earthquakes in California and Japan and others at quiet periods in Israel and California. Anomalies in TEC were extracted using Global Positioning System (GPS observations collected by GIL (GPS in Israel and the California permanent GPS networks. Geomagnetic data were collected in some regions where geomagnetic observatories and the GPS network overlaps. Sensitivity of the GPS method and basic wave characteristics of the ionospheric TEC perturbations are discussed. We study temporal variations of ionospheric TEC structures with highest reasonable spatial resolution around 50 km. Our results show no detectable TEC disturbances caused by right-lateral strike-slip earthquakes with minor vertical displacement. However, geomagnetic observations obtained at two observatories located in the epicenter zone of a strong dip-slip earthquake (Kyuchu, M = 6.2, 26 March 1997 revealed geomagnetic disturbances occurred 6–7 h before the earthquake.

  8. Study of quantum spin correlations of relativistic electron pairs - Testing nonlocality of relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Bodek, K.; Rozpędzik, D.; Zejma, J.; Caban, P.; Rembieliński, J.; Włodarczyk, M.; Ciborowski, J.; Enders, J.; Köhler, A.; Kozela, A.

    2013-01-01

    The Polish-German project QUEST aims at studying relativistic quantum spin correlations of the Einstein-Rosen-Podolsky-Bohm type, through measurement of the correlation function and the corresponding probabilities for relativistic electron pairs. The results will be compared to theoretical predictions obtained by us within the framework of relativistic quantum mechanics, based on assumptions regarding the form of the relativistic spin operator. Agreement or divergence will be interpreted in the context of non-uniqueness of the relativistic spin operator in quantum mechanics as well as dependence of the correlation function on the choice of observables representing the spin. Pairs of correlated electrons will originate from the Mo/ller scattering of polarized 15 MeV electrons provided by the superconducting Darmstadt electron linear accelerator S-DALINAC, TU Darmstadt, incident on a Be target. Spin projections will be determined using the Mott polarimetry technique. Measurements (starting 2013) are planned for longitudinal and transverse beam polarizations and different orientations of the beam polarization vector w.r.t. the Mo/ller scattering plane. This is the first project to study relativistic spin correlations for particles with mass

  9. Morphological variation and habitat modification are strongly correlated for the autogenic ecosystem engineer Spartina anglica (common cordgrass)

    NARCIS (Netherlands)

    van Hulzen, J.B.; Van Soelen, J.; Bouma, T.J.

    2007-01-01

    We explored to what extent morphological variation and habitat modification are correlated for an autogenic ecosystem engineer, which is an organism that modifies its habitat via its own physical structures. The intertidal salt marsh species Spartina anglica is well known for its capacity to enhance

  10. A strong response to selection on mass-independent maximal metabolic rate without a correlated response in basal metabolic rate

    DEFF Research Database (Denmark)

    Wone, B W M; Madsen, Per; Donovan, E R

    2015-01-01

    Metabolic rates are correlated with many aspects of ecology, but how selection on different aspects of metabolic rates affects their mutual evolution is poorly understood. Using laboratory mice, we artificially selected for high maximal mass-independent metabolic rate (MMR) without direct selecti...

  11. Hand-Held Dynamometer Measurements Obtained in a Home Environment Are Reliable but Not Correlated Strongly with Function.

    Science.gov (United States)

    Bohannon, R. W.

    1996-01-01

    This research report describes the reliability and validity of hand-held dynamometer measurements of knee extension force obtained from 13 patients referred for physical therapy. Results found that hand-held dynamometry can be used to obtain reliable measures of muscle strength; however, correlation between strength measures and function was not…

  12. Students’ delinquency and correlates with strong and weaker ties : A study of students’ networks in Dutch high schools

    NARCIS (Netherlands)

    Baerveldt, Chris; Rossem, Ronan van; Vermande, Marjolein; Weerman, Frank

    2004-01-01

    The goal of the present study was to investigate three issues in the current debate on youth delinquency: (1) Whether the level of delinquency of adolescents is negatively correlated with the quality of her/his personal networks (as stated by the social inability model) or not (as stated by the

  13. Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

    DEFF Research Database (Denmark)

    Olsen, Thomas; Thygesen, Kristian S.

    2012-01-01

    while chemical bond strengths and absolute correlation energies are systematically underestimated. In this work we extend the RPA by including a parameter-free renormalized version of the adiabatic local-density (ALDA) exchange-correlation kernel. The renormalization consists of a (local) truncation...... of the ALDA kernel for wave vectors q > 2kF, which is found to yield excellent results for the homogeneous electron gas. In addition, the kernel significantly improves both the absolute correlation energies and atomization energies of small molecules over RPA and ALDA. The renormalization can...... be straightforwardly applied to other adiabatic local kernels....

  14. Boson-Jet Correlations in a Hybrid Strong/Weak Coupling Model for Jet Quenching in Heavy Ion Collisions

    CERN Document Server

    Casalderrey-Solana, Jorge; Milhano, Jose Guilherme; Pablos, Daniel; Rajagopal, Krishna

    2016-06-11

    We confront a hybrid strong/weak coupling model for jet quenching to data from LHC heavy ion collisions. The model combines the perturbative QCD physics at high momentum transfer and the strongly coupled dynamics of non- abelian gauge theories plasmas in a phenomenological way. By performing a full Monte Carlo simulation, and after fitting one single parameter, we successfully describe several jet observables at the LHC, including dijet and photon jet measurements. Within current theoretical and experimental uncertainties, we find that such observables show little sensitivity to the specifics of the microscopic energy loss mechanism. We also present a new observable, the ratio of the fragmentation function of inclusive jets to that of the associated jets in dijet pairs, which can discriminate among different medium models. Finally, we discuss the importance of plasma response to jet passage in jet shapes.

  15. The inclusion of electron correlation in intermolecular potentials: Applications to the formamide dimer and liquid formamide

    DEFF Research Database (Denmark)

    Brdarski, S.; Åstrand, P.-O.; Karlström, G.

    2000-01-01

    dipole moment is 11% lower at the MP2 level than at the Hartree-Fock (HF) level, whereas the isotropic part of the polarizability is increased by 36% by adding electron correlation and using a considerably larger basis set. The atomic charges, dipole moments and polarizabilities obtained at the HF level...

  16. Electron density in reasonably real metallic surfaces, including interchange and correlation effects

    International Nuclear Information System (INIS)

    Moraga, L.A.; Martinez, G.

    1981-01-01

    By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt

  17. Electron correlation in a three dimensional cluster of the cubic lattice ...

    African Journals Online (AJOL)

    ... and pairing correlations depend implicitly on the interaction strength (U/41). It is shown that for two electrons, the interaction is always repulsive in the ground state for any positive value of the on-site Coulomb interaction U. Implications of this result for superconductivity are also discussed. Nigerian Journal of Physics Vol.

  18. Calculation of x-ray absorption in lead taking into account electron correlations in atom

    International Nuclear Information System (INIS)

    Davidovic, M.D.; Radojevic, V.

    2001-01-01

    The main characteristics of the theoretical model that enables one to take into account the influence of electron correlation in atoms of the shielding material on the efficiency of absorption of photons corresponding to x-ray radiation, are shortly described. Numerical results are presented for lead. The possibilities of the model are discussed (author)

  19. Target correlation effects in electron-molecule scattering: applications of distorted wave method

    International Nuclear Information System (INIS)

    Lee Mu Tao; Machado, L.E.; Leal, E.P.; Brescansin, L.M.; Machado, F.B.C.; Lima, M.A.P.

    1988-01-01

    In this work, it is studied the target correlation effects in inelastic electron cross section of H 2 . Cross sections for energies of 10.5, 20 and 30 eV are shown and compared to other available theoretical and experimental data. (A.C.A.S.) [pt

  20. A correlative optical microscopy and scanning electron microscopy approach to locating nanoparticles in brain tumors.

    Science.gov (United States)

    Kempen, Paul J; Kircher, Moritz F; de la Zerda, Adam; Zavaleta, Cristina L; Jokerst, Jesse V; Mellinghoff, Ingo K; Gambhir, Sanjiv S; Sinclair, Robert

    2015-01-01

    The growing use of nanoparticles in biomedical applications, including cancer diagnosis and treatment, demands the capability to exactly locate them within complex biological systems. In this work a correlative optical and scanning electron microscopy technique was developed to locate and observe multi-modal gold core nanoparticle accumulation in brain tumor models. Entire brain sections from mice containing orthotopic brain tumors injected intravenously with nanoparticles were imaged using both optical microscopy to identify the brain tumor, and scanning electron microscopy to identify the individual nanoparticles. Gold-based nanoparticles were readily identified in the scanning electron microscope using backscattered electron imaging as bright spots against a darker background. This information was then correlated to determine the exact location of the nanoparticles within the brain tissue. The nanoparticles were located only in areas that contained tumor cells, and not in the surrounding healthy brain tissue. This correlative technique provides a powerful method to relate the macro- and micro-scale features visible in light microscopy with the nanoscale features resolvable in scanning electron microscopy. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Correlated cryo-fluorescence and cryo-electron microscopy with high spatial precision and improved sensitivity.

    Science.gov (United States)

    Schorb, Martin; Briggs, John A G

    2014-08-01

    Performing fluorescence microscopy and electron microscopy on the same sample allows fluorescent signals to be used to identify and locate features of interest for subsequent imaging by electron microscopy. To carry out such correlative microscopy on vitrified samples appropriate for structural cryo-electron microscopy it is necessary to perform fluorescence microscopy at liquid-nitrogen temperatures. Here we describe an adaptation of a cryo-light microscopy stage to permit use of high-numerical aperture objectives. This allows high-sensitivity and high-resolution fluorescence microscopy of vitrified samples. We describe and apply a correlative cryo-fluorescence and cryo-electron microscopy workflow together with a fiducial bead-based image correlation procedure. This procedure allows us to locate fluorescent bacteriophages in cryo-electron microscopy images with an accuracy on the order of 50 nm, based on their fluorescent signal. It will allow the user to precisely and unambiguously identify and locate objects and events for subsequent high-resolution structural study, based on fluorescent signals. © 2013 Published by Elsevier B.V.

  2. Correlated formation of the excited states of recoil and scattered ions in multiple electron capture collision of Ar8+ with CO2 and OCS

    Science.gov (United States)

    Tezuka, H.; Takahashi, K.; Matsumoto, J.; Karimi, R.; Sanderson, J. H.; Shiromaru, H.

    2018-02-01

    Multiple ionization events induced by low energy collisions between Ar8+ projectiles and linear triatomic molecular targets, CO2 and OCS, were studied in order to shed light on the correlation between the electronic states of the scattered ion and the ionic fragmentation processes. Position-sensitive time-of-flight measurements of all the recoil fragments, triggered by detection of a charge-selected scattered ion, allowed us to distinguish between ionic fragmentation processes in which different numbers of Auger electrons were emitted by the projectile, just after multiple electron capture. A strong correlation is found for triple capture collisions, between fragmentation with high kinetic energy and events when only single Auger electron emission takes place.

  3. Correlated fluorescence microscopy and cryo-electron tomography of virus-infected or transfected mammalian cells.

    Science.gov (United States)

    Hampton, Cheri M; Strauss, Joshua D; Ke, Zunlong; Dillard, Rebecca S; Hammonds, Jason E; Alonas, Eric; Desai, Tanay M; Marin, Mariana; Storms, Rachel E; Leon, Fredrick; Melikyan, Gregory B; Santangelo, Philip J; Spearman, Paul W; Wright, Elizabeth R

    2017-01-01

    Correlative light and electron microscopy (CLEM) combines spatiotemporal information from fluorescence light microscopy (fLM) with high-resolution structural data from cryo-electron tomography (cryo-ET). These technologies provide opportunities to bridge knowledge gaps between cell and structural biology. Here we describe our protocol for correlated cryo-fLM, cryo-electron microscopy (cryo-EM), and cryo-ET (i.e., cryo-CLEM) of virus-infected or transfected mammalian cells. Mammalian-derived cells are cultured on EM substrates, using optimized conditions that ensure that the cells are spread thinly across the substrate and are not physically disrupted. The cells are then screened by fLM and vitrified before acquisition of cryo-fLM and cryo-ET images, which is followed by data processing. A complete session from grid preparation through data collection and processing takes 5-15 d for an individual experienced in cryo-EM.

  4. Quantum correlations in a system of nuclear s = 1/2 spins in a strong magnetic field

    International Nuclear Information System (INIS)

    Fel’dman, E B; Kuznetsova, E I; Yurishchev, M A

    2012-01-01

    Entanglement and quantum discord for a pair of nuclear spins s = 1/2 in a nanopore filled with a gas of spin-carrying molecules (atoms) are studied. The correlation functions describing dynamics of dipolar-coupled spins in a nanopore are found. The dependence of spin-pair entanglement on the temperature and the number of spins is obtained from the reduced density matrix, which is centrosymmetric (CS). An analytic expression for the concurrence is obtained for an arbitrary CS density matrix. It is shown that the quantum discord as a measure of quantum correlations attains a significant value at low temperatures. It is also shown that the discord in the considered model has ‘flickering’ character and disappears periodically in the course of time evolution of the system. The geometric discord is studied for arbitrary 4 × 4 CS density matrices. (paper)

  5. A strong response to selection on mass-independent maximal metabolic rate without a correlated response in basal metabolic rate.

    Science.gov (United States)

    Wone, B W M; Madsen, P; Donovan, E R; Labocha, M K; Sears, M W; Downs, C J; Sorensen, D A; Hayes, J P

    2015-04-01

    Metabolic rates are correlated with many aspects of ecology, but how selection on different aspects of metabolic rates affects their mutual evolution is poorly understood. Using laboratory mice, we artificially selected for high maximal mass-independent metabolic rate (MMR) without direct selection on mass-independent basal metabolic rate (BMR). Then we tested for responses to selection in MMR and correlated responses to selection in BMR. In other lines, we antagonistically selected for mice with a combination of high mass-independent MMR and low mass-independent BMR. All selection protocols and data analyses included body mass as a covariate, so effects of selection on the metabolic rates are mass adjusted (that is, independent of effects of body mass). The selection lasted eight generations. Compared with controls, MMR was significantly higher (11.2%) in lines selected for increased MMR, and BMR was slightly, but not significantly, higher (2.5%). Compared with controls, MMR was significantly higher (5.3%) in antagonistically selected lines, and BMR was slightly, but not significantly, lower (4.2%). Analysis of breeding values revealed no positive genetic trend for elevated BMR in high-MMR lines. A weak positive genetic correlation was detected between MMR and BMR. That weak positive genetic correlation supports the aerobic capacity model for the evolution of endothermy in the sense that it fails to falsify a key model assumption. Overall, the results suggest that at least in these mice there is significant capacity for independent evolution of metabolic traits. Whether that is true in the ancestral animals that evolved endothermy remains an important but unanswered question.

  6. Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

    Science.gov (United States)

    Genoni, Alessandro; Dos Santos, Leonardo H R; Meyer, Benjamin; Macchi, Piero

    2017-03-01

    The X-ray constrained wavefunction (XC-WF) method proposed by Jayatilaka [Jayatilaka & Grimwood (2001) ▸, Acta Cryst. A 57 , 76-86] has attracted much attention because it represents a possible third way of theoretically studying the electronic structure of atoms and molecules, combining features of the more popular wavefunction- and DFT-based approaches. In its original formulation, the XC-WF technique extracts statistically plausible wavefunctions from experimental X-ray diffraction data of molecular crystals. A weight is used to constrain the pure Hartree-Fock solution to the observed X-ray structure factors. Despite the wavefunction being a single Slater determinant, it is generally assumed that its flexibility could guarantee the capture, better than any other experimental model, of electron correlation effects, absent in the Hartree-Fock Hamiltonian but present in the structure factors measured experimentally. However, although the approach has been known for long time, careful testing of this fundamental hypothesis is still missing. Since a formal demonstration is impossible, the validation can only be done heuristically and, to accomplish this task, X-ray constrained Hartree-Fock calculations have been performed using structure factor amplitudes computed at a very high correlation level (coupled cluster) for selected molecules in isolation, in order to avoid the perturbations due to intermolecular interactions. The results show that a single-determinant XC-WF is able to capture the electron correlation effects only partially. The largest amount of electron correlation is extracted when: (i) a large external weight is used (much larger than what has normally been used in XC-WF calculations using experimental data); and (ii) the high-order reflections, which carry less information on the electron correlation, are down-weighted (or even excluded), otherwise they would bias the fitting towards the unconstrained Hartree-Fock wavefunction.

  7. Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules.

    Science.gov (United States)

    Liu, C; Liu, J; Yao, Y X; Wu, P; Wang, C Z; Ho, K M

    2016-10-11

    We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

  8. Angular correlation of autoionization electrons and photons emitted from collisionally aligned atomic states

    International Nuclear Information System (INIS)

    Eichler, J.; Fritsch, W.

    1976-01-01

    The angular correlation of autoionization electrons or of photons ejected from collisionally aligned excited atoms is calculated assuming unpolarized beam and target, and polarization-insensitive detectors. Starting from the two-step hypothesis for the formation and decay of the intermediate excited atoms, the angular correlation is expressed in terms of the density matrix describing the excited system. Using the symmetries of the density matrix, a minimal set of independent matrix elements is given and the conditions for which a complete determination of this set is experimentally possible are discussed. For the case of electron emission, simple examples are pointed out in which the angular correlation is independent of the reduced Coulomb matrix elements describing the decay. (author)

  9. Modification of heparanase gene expression in response to conditioning and LPS treatment: strong correlation to rs4693608 SNP.

    Science.gov (United States)

    Ostrovsky, Olga; Shimoni, Avichai; Baryakh, Polina; Morgulis, Yan; Mayorov, Margarita; Beider, Katia; Shteingauz, Anna; Ilan, Neta; Vlodavsky, Israel; Nagler, Arnon

    2014-04-01

    Heparanase is an endo-β-glucuronidase that specifically cleaves the saccharide chains of HSPGs, important structural and functional components of the ECM. Cleavage of HS leads to loss of the structural integrity of the ECM and release of HS-bound cytokines, chemokines, and bioactive angiogenic- and growth-promoting factors. Our previous study revealed a highly significant correlation of HPSE gene SNPs rs4693608 and rs4364254 and their combination with the risk of developing GVHD. We now demonstrate that HPSE is up-regulated in response to pretransplantation conditioning, followed by a gradual decrease thereafter. Expression of heparanase correlated with the rs4693608 HPSE SNP before and after conditioning. Moreover, a positive correlation was found between recipient and donor rs4693608 SNP discrepancy and the time of neutrophil and platelet recovery. Similarly, the discrepancy in rs4693608 HPSE SNP between recipients and donors was found to be a more significant factor for the risk of aGVHD than patient genotype. The rs4693608 SNP also affected HPSE gene expression in LPS-treated MNCs from PB and CB. Possessors of the AA genotype exhibited up-regulation of heparanase with a high ratio in the LPS-treated MNCs, whereas individuals with genotype GG showed down-regulation or no effect on HPSE gene expression. HPSE up-regulation was mediated by TLR4. The study emphasizes the importance of rs4693608 SNP for HPSE gene expression in activated MNCs, indicating a role in allogeneic stem cell transplantation, including postconditioning, engraftment, and GVHD.

  10. Electron-photon angular correlation measurements for the 2 1P state of helium

    International Nuclear Information System (INIS)

    Slevin, J.; Porter, H.Q.; Eminyan, M.; Defrance, A.; Vassilev, G.

    1980-01-01

    Electron-photon angular correlations have been measured by detecting in delayed coincidence, electrons inelastically scattered from helium and photons emitted in decays from the 2 1 P state at incident electron energies of 60 and 80 eV. Analysis of the data yields values for the ratio lambda of the differential cross sections for magnetic sublevel excitations and the phase difference X between the corresponding probability amplitudes. The measurements extend over the angular range 10-120 0 of electron scattering angles. The present data are in good agreement with the experimental results of Hollywood et al, (J. Phys. B.; 12: 819 (1979)), and show a marked discrepancy at large scattering angles with the recent data of Steph and Golde. (Phys. Rev.; A in press (1980)). The experimental results are compared with some recent theories. (author)

  11. Correlated observations of intensified whistler waves and electron acceleration around the geostationary orbit

    International Nuclear Information System (INIS)

    Xiao Fuliang; He Zhaoguo; Tang Lijun; Zong Qiugang; Wang Chengrui; Su Zhenpeng

    2012-01-01

    We report correlated observations of enhanced whistler waves and energetic electron acceleration collected by multiple satellites specifically near the geostationary orbit during the 7–10 November 2004 superstorms, together with multi-site observations of ULF wave power measured on the ground. Energetic (>0.6 MeV) electron fluxes are found to increase significantly during the recovery phase, reaching a peak value by ∼100 higher than the prestorm level. In particular, such high electron flux corresponds to intensified whistler wave activities but to the weak ULF wave power. This result suggests that wave–particle interaction appears to be more important than inward radial diffusion in acceleration of outer radiation belt energetic electrons in this event, assisting to better understand the acceleration mechanism. (paper)

  12. Charge- and parity-projected Hartree-Fock method for the strong tensor correlation and its application to the alpha particle

    International Nuclear Information System (INIS)

    Sugimoto, Satoru; Ikeda, Kiyomi; Toki, Hiroshi

    2004-01-01

    We propose a new mean-field-type framework which can treat the strong correlation induced by the tensor force. To treat the tensor correlation we break the charge and parity symmetries of a single-particle state and restore these symmetries of the total system by the projection method. We perform the charge and parity projections before variation and obtain a Hartree-Fock-like equation, which is solved self-consistently. We apply the Hartree-Fock-like equation to the alpha particle and find that by breaking the parity and charge symmetries, the correlation induced by the tensor force is obtained in the projected mean-field framework. We emphasize that the projection before the variation is important to pick up the tensor correlation in the present framework

  13. Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V2O3

    Science.gov (United States)

    Poteryaev, Alexander I.; Tomczak, Jan M.; Biermann, Silke; Georges, Antoine; Lichtenstein, Alexander I.; Rubtsov, Alexey N.; Saha-Dasgupta, Tanusri; Andersen, Ole K.

    2007-08-01

    We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the Nth order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The transition is shown to be driven by a correlation-induced enhancement of the crystal-field splitting within the t2g manifold, which results in a suppression of the hybridization between the a1g and egπ bands. We discuss the changes in the effective quasiparticle band structure caused by the correlations and the corresponding self-energies. At temperatures of about 400K , we find the a1g orbital displays coherent quasiparticle behavior, while a large imaginary part of the self-energy and broad features in the spectral function indicate that the egπ orbitals are still far above their coherence temperature. The local spectral functions are in excellent agreement with recent bulk sensitive photoemission data. Finally, we also make a prediction for angle-resolved photoemission experiments by calculating momentum-resolved spectral functions.

  14. Updating the (supermassive black hole mass)-(spiral arm pitch angle) relation: a strong correlation for galaxies with pseudobulges

    Science.gov (United States)

    Davis, Benjamin L.; Graham, Alister W.; Seigar, Marc S.

    2017-10-01

    We have conducted an image analysis of the (current) full sample of 44 spiral galaxies with directly measured supermassive black hole (SMBH) masses, MBH, to determine each galaxy's logarithmic spiral arm pitch angle, ϕ. For predicting black hole masses, we have derived the relation: log (MBH/M⊙) = (7.01 ± 0.07) - (0.171 ± 0.017)[|ϕ| - 15°]. The total root mean square scatter associated with this relation is 0.43 dex in the log MBH direction, with an intrinsic scatter of 0.30 ± 0.08 dex. The MBH-ϕ relation is therefore at least as accurate at predicting SMBH masses in spiral galaxies as the other known relations. By definition, the existence of an MBH-ϕ relation demands that the SMBH mass must correlate with the galaxy discs in some manner. Moreover, with the majority of our sample (37 of 44) classified in the literature as having a pseudobulge morphology, we additionally reveal that the SMBH mass correlates with the large-scale spiral pattern and thus the discs of galaxies hosting pseudobulges. Furthermore, given that the MBH-ϕ relation is capable of estimating black hole masses in bulge-less spiral galaxies, it therefore has great promise for predicting which galaxies may harbour intermediate-mass black holes (IMBHs, MBH < 105 M⊙). Extrapolating from the current relation, we predict that galaxies with |ϕ| ≥ 26.7° should possess IMBHs.

  15. Strong correlations between empathy, emotional intelligence, and personality traits among podiatric medical students: A cross-sectional study.

    Science.gov (United States)

    Bertram, Kurtis; Randazzo, John; Alabi, Nathaniel; Levenson, Jack; Doucette, John T; Barbosa, Peter

    2016-01-01

    The ability of health-care providers to demonstrate empathy toward their patients results in a number of positive outcomes improving the quality of care. In addition, a provider's level of emotional intelligence (EI) can further the doctor-patient relationship, stimulating a more personalized and comprehensive manner of treating patients. Furthermore, personality traits of a clinician may positively or negatively influence that relationship, as well as clinical outcomes. This study was designed to evaluate empathy levels in podiatric medical students in a 4-year doctoral program. Moreover, this study aimed to determine whether EI, personality traits, and demographic variables exhibit correlations with the observed empathy patterns. This cross-sectional study collected data using an anonymous web-based survey completed by 150 students registered at the New York College of Podiatric Medicine. There were four survey sections: (1) demographics, (2) empathy (measured by the Jefferson Scale of Physicians' Empathy), (3) EI (measured by the Assessing Emotions Scale), and (4) personality traits (measured by the NEO-Five-Factor Inventory-3). Empathy levels were significantly correlated with EI scores (r = 0.62, n = 150, Pmedical students. Given the suggested importance and effect of such qualities on patient care, these findings may serve as guidance for possible amendments and warranted curriculum initiatives in medical education.

  16. Correlation between biological activity and electron transferring of bovine liver catalase: Osmolytes effects

    International Nuclear Information System (INIS)

    Tehrani, H. Sepasi; Moosavi-Movahedi, A.A.; Ghourchian, H.

    2013-01-01

    Highlights: • Proline increases ET in Bovine Liver Catalase (BLC) whereas histidine decreases it. • Proline also increased the biological activity, whereas histidine decreased it. • Electron transferring and biological activity for BLC are directly correlated. • Proline causes favorable ET for BLC shown by positive E 1/2 (E°′) and negative ΔG. • Histidine makes ET unfavorable for BLC, manifested by E 1/2 (E°′) 0. -- Abstract: Catalase is a crucial antioxidant enzyme that protects life against detrimental effects of H 2 O 2 by disproportionating it into water and molecular oxygen. Effect of proline as a compatible and histidine as a non compatible osmolyte on the electron transferring and midpoint potential of catalase has been investigated. Proline increases the midpoint potential (ΔE m > 0), therefore causing the ΔG ET to be less positive and making the electron transfer reaction more facile whereas histidine decreases the E m (ΔE m ET , thereby rendering the electron transfer reaction less efficient. These results indicate the inhibitory effect of histidine evident by a −37% decrease in the cathodic peak current compared to 16% increase in the case of proline indicative of activation. The insight paves the tedious way towards our ultimate goal of elucidating a correlation between biological activity and electron transferring

  17. Oral leukoplakia: Transmission electron microscopic correlation with clinical types and light microscopy

    Science.gov (United States)

    Tamgadge, Sandhya Avinash; Ganvir, Sindhu Milind; Hazarey, Vinay Krishnarao; Tamgadge, Avinash

    2012-01-01

    Background: Leukoplakia, is a precancerous lesion that is most commonly encountered in the oral cavity. The grade of dysplasia is presumed to be the most important indicator of malignant potential. There are many promising aspects in advanced methods for the evaluation of oral precancer and cancer. Among these methods, electron microscopic examination predicts the true biologic potential more accurately than conventional histology and has some success in the early detection of potentially malignant lesions. It has been reported in the literature that there is some correlation between clinical, histopathological, and transmission electron microscopic features. Materials and Methods: In this cohort study (prospective research), from the total of 9 subjects, 3 had homogenous leukoplakia, 3 had ulcerative type of oral leukoplakia, and 3 had nodular type of oral leukoplakia. Two patients were selected as control patients. Transmission electron microscopic examination was carried for all the cases and controls. All the findings were correlated with clinical features and light microscopy. Results: Clinically and histologically, mild leukoplakia showed break in basement membrane, which can only be observed under transmission electron microscope (TEM). Additional dysplastic features were observed under transmission electron microscope, which are indicative of neoplastic process. Conclusions: Thus, it is finally concluded that nodular leukoplakia seems to be the most severe clinical type of leukoplakia showing highest risk of malignant transformation. Homogenous leukoplakia might show break in basement membrane under TEM. PMID:23814570

  18. Strong low-pass filtering effects on water vapour flux measurements with closed-path eddy correlation systems

    DEFF Research Database (Denmark)

    Ibrom, Andreas; Dellwik, Ebba; Flyvbjerg, Henrik K.

    2007-01-01

    forest in Soro, Zealand, Denmark, amounted on average to 42% of the measured flux, while it was only 4% for the CO2 flux, which was measured with the same EC system. We recommend using the described method to correct water vapour fluxes measured in any closed-path EC system for unintended low......Turbulent water vapour fluxes measured with closed-path eddy correlation (EC) systems are unintentionally low-pass filtered by the system in a manner that varies with environmental conditions. Why and how is described here. So is the practical method that systematically corrects long-term flux...... datasets for this substantial measurement error. In contrast to earlier studies, a large number of spectra and raw data have been used in the analysis to define the low-pass filtering characteristic of the EC system. This revealed that the cut-off frequency of the closed-path EC system for water vapour...

  19. Coherent control of the route of magnetic phases in quasi-1D armchair graphene nanoribbons via doping in the presence of electronic correlations

    Science.gov (United States)

    Dinh Hoi, Bui; Yarmohammadi, Mohsen; Davoudiniya, Masoumeh

    2018-03-01

    In this work, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons would be observed in the presence of electronic dopant. However, the mutual interactions between electrons are also considered based on theoretically tight-binding and Hubbard model calculations considering nearest neighbors within the framework of Green's function technique. This work showed that charge concentration of dopant in such system depending on the weak and strong mutual repulsions plays a crucial role in determining the magnetic phase. It follows from the obtained results that the ground state turns paramagnetic in a range of carrier concentrations by neglecting the electronic correlations. The inclusion of a Coulombic repulsion between electrons stops the phase transition and system remains in its ground state antiferromagnetic phase. Furthermore, we concluded that magnetic phases are insensitive to the electron-electron interaction at all weak and strong concentrations of dopant. In addition, this paper provides a controllable gap engineering by doping and inclusion of electron-electron repulsions for further studies on such system as a new potential nanomaterial for magnetic graphene nanoribbon-based applications.

  20. Micro-fabricated channel with ultra-thin yet ultra-strong windows enables electron microscopy under 4-bar pressure

    NARCIS (Netherlands)

    Alan, T.; Yokosawa, T.; Gaspar, J.; Pandraud, G.; Paul, O.; Creemer, F.; Sarro, P.M.; Zandbergen, H.W.

    2012-01-01

    Transmission electron microscopy (TEM) of (de-)hydrogenation reactions is crucial to characterize efficiency of hydrogen storage materials. The nanoreactor, a micromachined channel with 15-nm-thick windows, effectively confines the gas flow to an electron-transparent chamber during TEM of reactions.