Model calculation of local-field corrections to the static dielectric properties of a covalent semiconductor
- 1. Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
- 2. Department of Physics, University of California, Berkeley, California 94720
Description
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/-1(q) is modeled by two mechanisms of screening, one corresponding to the response by a uniform homogeneous medium characterized by epsilon0(q+G) and the other by a set of dipoles interacting via the screened electron-electron interaction v(q+G)/epsilon0(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
Additional details
Publishing Information
- Journal Title
- Phys. Rev., B: Condens. Matter
- Journal Volume
- 32
- Journal Issue
- 6
- Series
- Phys. Rev., B: Condens. Matter.
- Journal Page Range
- 4001-4006
- ISSN
- 0163-1829
- CODEN
- PRBMD
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 17016149
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- CHARGE DENSITY; COUPLING; COVALENCE; DIAMONDS; DIELECTRIC PROPERTIES; DIPOLES; ELECTRONS; POLARIZATION; RESPONSE FUNCTIONS; SILICON
- Descriptors DEC
- CARBON; ELECTRICAL PROPERTIES; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; FUNCTIONS; LEPTONS; MINERALS; MULTIPOLES; NONMETALS; PHYSICAL PROPERTIES; SEMIMETALS