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A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…

Materials Science · Physics 2009-11-10 Jose M. Soler

He atom scattering has been shown to be a sensitive probe of electron-phonon interaction properties at surfaces. Here it is shown that measurements of the thermal attenuation of the specular He atom diffraction peak (the Debye-Waller…

Superconductivity · Physics 2017-12-20 G. Benedek , Salvador Miret-Artes , J. R. Manson , J. P. Toennies

We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains…

Chemical Physics · Physics 2020-02-05 Luning Zhao , Eric Neuscamman

We investigate - both experimentally and theoretically - the inelastic interaction between fast electrons and the electromagnetic field scattered by metallic apertures and nanostructures on dielectric membranes using photon induced…

We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the…

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

Materials Science · Physics 2009-11-10 Roi Baer , Daniel Neuhauser

In this article, we report a critical assessment of dielectric function calculations in electron gas through the comparison of different modelling methods. This work is motivated by the fact that the dielectric function is a key quantity in…

Other Condensed Matter · Physics 2022-06-01 Aditi Mandal , Sylvain Tricot , Rakesh Choubisa , Didier Sébilleau

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas

The effect of changing the driving frequency on the plasma density and the electron dynamics in a capacitive radio-frequency argon plasma operated at low pressures of a few Pa is investigated by Particle in Cell/Monte Carlo Collisions…

Element- and site-specific resonant inelastic x-ray scattering spectroscopy (RIXS) is employed to investigate electron correlation effects in {$\rm NaV_2O_5$}. In contrast to single photon techniques, RIXS at the vanadium $L_3$ edge is able…

Strongly Correlated Electrons · Physics 2009-11-07 G. P. Zhang , T. A. Callcott , G. T. Woods , L. Lin , Brian Sales , D. Mandrus , J. He

The quasi-two-dimensional nature of the charge carriers energy spectrum in layered conductors leads to specific effects in an external magnetic field. The magnetoresistance of layered conductors in a wide range of strong magnetic fields…

Statistical Mechanics · Physics 2010-06-09 O. V. Kirichenko , Yu. A. Kolesnichenko , V. G. Peschansky

Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…

Atomic Physics · Physics 2015-10-07 Z. Felfli , A. Z. Msezane

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…

Materials Science · Physics 2009-10-30 J. M. Pitarke , A. G. Eguiluz

Composites of the type: metal - dielectrics and superconductor - dielectrics are studied in the quasistatic approximation. The dielectric response is described by the spectral function $G(n,x)$, which contains effects of the concentration x…

Materials Science · Physics 2017-12-13 Matej Hudak , Ondrej Hudak

Diffusion of electrons in two-dimensional disordered systems with spin-orbit interactions is investigated numerically. Asymptotic behaviors of the second moment of the wave packet and of the temporal auto-correlation function are examined.…

Condensed Matter · Physics 2009-10-28 Tohru Kawarabayashi , Tomi Ohtsuki

Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…

Strongly Correlated Electrons · Physics 2007-10-11 B. Barbiellini , A. Bansil

We consider the correlation functions in a gas of electrons moving within a thin layer on the surface of nanosize sphere. A closed form of expressions for the RKKY indirect exchange, superconducting Cooper loop and `density-density'…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 D. N. Aristov

The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use…

Detailed comparisons are reported between laboratory observations of electron-scale dissipation layers near a reconnecting X-line and direct two-dimensional full-particle simulations. Many experimental features of the electron layers, such…

Instrumentation and Methods for Astrophysics · Physics 2015-05-14 H. Ji , Y. Ren , M. Yamada , S. Dorfman , W. Daughton , S. P. Gerhardt

Nematic drops suspended in the isotropic phase of the same substance were subjected to alternating electrical fields of varying frequency. The system was carefully kept in the isotropic-nematic coexistance region, which was broadened due to…

Soft Condensed Matter · Physics 2009-03-27 Günter K. Auernhammer , Jinyu Zhao , Beate Ullrich , Doris Vollmer
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