Browsing Department of Physics and Astronomy (MU) by Identifier "0031-9007"
Now showing items 1-20 of 60
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Center of Mass and Relative Motion in Time Dependent Density Functional Theory
(American Physical Society, 1995)It is shown that the theorem asserting separability of the center of mass motion for a system of interacting particles in a harmonic external potential is satisfied in the time dependent density functional theory, provided ... -
Collective Excitations in Ethane Monolayers Adsorbed on Graphite (0001) Surfaces
(American Physical Society, 1984)Inelastic incoherent neutron spectra below 4.1 THz have been obtained for the √3×4 "herringbone" and √3×√3 "on-end" monolayer phases of ethane adsorbed on graphite basal planes. One-phonon cross sections calculated ... -
Cooperative Jahn-Teller Coupling in the Manganites
(American Physical Society, 2000)The cooperative Jahn-Teller coupling between the Mn eg electrons and the oxygen octahedral distortions in LaMnO3 is studied using ab initio density-functional calculations and tight-binding models. The linear and quadratic ... -
Corrugation in the nitrogen-graphite potential probed by inelastic neutron scattering
(American Physical Society, 1990)Inelastic neutron spectra of the commensurate √3 ×3 herringbone monolayer phase of nitrogen physisorbed on the graphite (002) surface at low temperature have been compared with lattice dynamics calculations of the ... -
Coulomb-Induced Rashba Spin-Orbit Coupling in Semiconductor Quantum Wells
(American Physical Society, 2010)In the absence of an external field, the Rashba spin-orbit interaction (SOI) in a two-dimensional electron gas in a semiconductor quantum well arises entirely from the screened electrostatic potential of ionized donors. ... -
Current-Dependent Exchange-Correlation Potential for Dynamical Linear Response Theory
(American Physical Society, 1996)The frequency-dependent exchange-correlation potential, which appears in the usual Kohn- Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent ... -
Density-Functional Theory for Strongly Interacting Electrons
(American Physical Society, 2009)We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and ... -
Does the Self-Trapped Magnetic Polaron Exist in Electron-Doped Manganites?
(American Physical Society, 2004)We show from ab initio density-functional calculations and model studies that, in the electron-doped manganite LaxCa1-xMnO3 (x≪1), unbound electrons are introduced into the conduction band, which then trap themselves in ... -
Drag in Paired Electron-Hole Layers
(American Physical Society, 1996)We investigate transresistance effects in electron-hole double-layer systems with a superfluid electron-hole condensate. Our theory is based on the use of a minimum dissipation premise to fix the current carried by the ... -
Electromagnetic wave propagation in periodic structures: Bloch wave solution of Maxwell's equations
(American Physical Society, 1990)We examine the propagation of electromagnetic waves in periodic dielectric structures by solving the vector Maxwell equations with the plane-wave method. Contrary to experimental reports, as well as results of scalar-wave ... -
Electronic Shell Structure and Relative Abundances of Cesium-Coated C60
(American Physical Society, 1996)The relative abundances of C60Cs(N), N≤500, determined from mass spectra measurements, are presented and explained in terms of the successive filling of the electronic shells by the cesium valence electrons. The motion of ... -
Electronic Structure of the Perovskite Oxides: La1-xCaxMnO3
(American Physical Society, 1996)The electronic structures of the perovskite oxides, LaMnO3 and CaMnO3, are studied using density-functional methods. Antiferromagnetic insulating (AFI) solutions are obtained for both compounds within the local-density ... -
Erratum: Theory of photon bands in three-dimensional periodic dielectric structures
(American Physical Society, 1990)Erratum correction in reference to Theory of Photon Bands in Three-Dimensional Periodic Dielectric Structures [Phys Rev. Lett. 64 1239 (1990)]. -
Exact Dynamical Exchange-Correlation Kernel of a Weakly Inhomogeneous Electron Gas
(American Physical Society, 2009)The dynamical exchange-correlation kernel fxc of a nonuniform electron gas is an essential input for the time-dependent density-functional theory of electronic systems. The long-wavelength behavior of this kernel is known ... -
Fluctuation-Driven Molecular Transport Through an Asymmetric Membrane Channel
(American Physical Society, 2004)Channel proteins that selectively conduct molecules across cell membranes often exhibit an asymmetric structure. By means of a stochastic model, we argue that channel asymmetry in the presence of nonequilibrium fluctuations, ... -
Geometry-Dependent Electronic Properties of Highly Fluorescent Conjugated Molecules
(American Physical Society, 2000)We present a combined experimental/theoretical study of the electronic properties of conjugated para- phenylene type molecules under high pressure up to 80 kbar. Pressure is used as a tool to vary the molecular geometry ... -
Influence of Quantum Size Effects on Island Coarsening
(American Physical Society, 2006)Surface x-ray scattering and scanning-tunneling microscopy experiments reveal novel coarsening behavior of Pb nanocrystals grown on Si 111 - 7 7 . It is found that quantum size effects lead to the breakdown of the ... -
Intramolecular and lattice melting in n-alkane monolayers : an analog of melting in lipid bilayers
(American Physical Society, 1999)Molecular dynamics (MD) simulations and neutron diffraction experiments have been performed on n-dotriacontane ( n-C32D66) monolayers adsorbed on a graphite basal- plane surface. The diffraction experiments show little ... -
Intramolecular and Surface Vibratory Modes of Butane Adsorbed on Graphite Observed by Inelastic Neutron Scattering
(American Physical Society, 1977)Inelastic and elastic neutron scattering have been used to study the dynamics and structure of butane (C4H10) adsorbed on a graphitized carbon powder at 77 K. In addition to the intramolecular vibrations found in the bulk ... -
Intramolecular diffusive motion in alkane monolayers studied by high-resolution Quasielastic Neutron scattering and molecular dynamics simulations
(American Physical Society, 2004)Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring ...