# 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}

}