The microscopic dielectric function in silicon and diamond
- 1 October 1970
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 3 (10) , 2140-2145
- https://doi.org/10.1088/0022-3719/3/10/016
Abstract
The microscopic dielectric function epsilon (q) of diamond and silicon was calculated using a pseudopotential scheme. Sufficient plane waves were included to obtain energy convergence to within 0.1 eV. Four valence, seven conduction bands, and 11520 points were used in the sampling of the Brillouin zone. Good agreement with experiment was obtained for the static limit epsilon (0). The effect of the higher conduction bands was investigated and it was shown that it cannot be neglected. The calculated values of epsilon (q) for q>or=q (Fermi) are smaller than those predicted from the simple Penn model. The covalent 222 contribution to the valence charge density in Si was calculated as 0.219 electrons/atom, in agreement with the experimental value 0.22.Keywords
This publication has 17 references indexed in Scilit:
- On the valence charge density and covalency in siliconPhysics Letters A, 1970
- Covalency in silicon, germanium and grey tinJournal of Physics C: Solid State Physics, 1969
- Dielectric Screening Model for Lattice Vibrations of Diamond-Structure CrystalsPhysical Review B, 1969
- Pseudopotential calculations of the band structure of GaAs, InAs and (GaIn) as alloysSolid State Communications, 1969
- Electronic band structure and covalency in diamond-type semiconductorsJournal of Physics C: Solid State Physics, 1969
- On the Reaction F19(p, α)O16 in the Range of Bombarding Energy from 2.2- to 3.4-MeVJournal of the Physics Society Japan, 1966
- Shallow Donor Potential in SiliconJournal of the Physics Society Japan, 1966
- Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende StructuresPhysical Review B, 1966
- Screened Impurity Potential in SiJournal of the Physics Society Japan, 1965
- Electronic Spectra of Crystalline Germanium and SiliconPhysical Review B, 1964