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Title: Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor

Abstract

The wave-vector-dependent macroscopic response functions of diamond and silicon are calculated using a simple model for the static dielectric matrix of a covalent semiconductor. Local-field corrections are taken into account using a Wannier-function inversion technique in which the microscopic static dielectric response epsilon/sub GGprime//sup -1/(q) is modeled by two mechanisms of screening, one corresponding to the response by a uniform homogeneous medium characterized by epsilon/sub 0/(q+G) and the other by a set of dipoles interacting via the screened electron-electron interaction v(q+G)/epsilon/sub 0/(q+G). Results for the static dielectric constant with and without local-field effects are compared to previous model calculations. The static microscopic dielectric response is tested in the long-wavelength limit via an analysis in real space of the microscopic local field and polarization charge density induced by a uniform externally applied electric field along the (111) direction.

Authors:
;
Publication Date:
Research Org.:
Department of Physics, University of California, Berkeley, California 94720 and Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
OSTI Identifier:
5336158
Resource Type:
Journal Article
Journal Name:
Phys. Rev. B: Condens. Matter; (United States)
Additional Journal Information:
Journal Volume: 32:6
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DIAMONDS; DIELECTRIC PROPERTIES; SILICON; CHARGE DENSITY; COVALENCE; DIPOLES; ELECTRON-ELECTRON COUPLING; POLARIZATION; RESPONSE FUNCTIONS; SCREENING; CARBON; ELECTRICAL PROPERTIES; ELEMENTAL MINERALS; ELEMENTS; FUNCTIONS; MINERALS; MULTIPOLES; NONMETALS; PHYSICAL PROPERTIES; SEMIMETALS; 360603* - Materials- Properties

Citation Formats

Oliveira, L E, and d'Albuquerque e Castro, J. Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor. United States: N. p., 1985. Web. doi:10.1103/PhysRevB.32.4001.
Oliveira, L E, & d'Albuquerque e Castro, J. Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor. United States. doi:10.1103/PhysRevB.32.4001.
Oliveira, L E, and d'Albuquerque e Castro, J. Sun . "Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor". United States. doi:10.1103/PhysRevB.32.4001.
@article{osti_5336158,
title = {Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor},
author = {Oliveira, L E and d'Albuquerque e Castro, J},
abstractNote = {The wave-vector-dependent macroscopic response functions of diamond and silicon are calculated using a simple model for the static dielectric matrix of a covalent semiconductor. Local-field corrections are taken into account using a Wannier-function inversion technique in which the microscopic static dielectric response epsilon/sub GGprime//sup -1/(q) is modeled by two mechanisms of screening, one corresponding to the response by a uniform homogeneous medium characterized by epsilon/sub 0/(q+G) and the other by a set of dipoles interacting via the screened electron-electron interaction v(q+G)/epsilon/sub 0/(q+G). Results for the static dielectric constant with and without local-field effects are compared to previous model calculations. The static microscopic dielectric response is tested in the long-wavelength limit via an analysis in real space of the microscopic local field and polarization charge density induced by a uniform externally applied electric field along the (111) direction.},
doi = {10.1103/PhysRevB.32.4001},
journal = {Phys. Rev. B: Condens. Matter; (United States)},
number = ,
volume = 32:6,
place = {United States},
year = {1985},
month = {9}
}