Density-Functional Theory of Excitation Spectra of Semiconductors: Application to Si
- 15 August 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 51 (7) , 597-600
- https://doi.org/10.1103/physrevlett.51.597
Abstract
This Letter presents a general approach to calculation of the quasiparticle excitation energies of semiconductors which includes the energy dependence of the self-energy with a local density-functional approach. Both direct and indirect band gaps in Si are in much better agreement with experiment than are the bands from the ground-state theory. The relatively large corrections arise only after the dielectric screening of the electron gas is modified to account for a gap in the excitation spectrum.Keywords
This publication has 18 references indexed in Scilit:
- New model dielectric function and exchange-correlation potential for semiconductors and insulatorsPhysical Review B, 1982
- Self-interaction correction for energy band calculations: Application to LiClSolid State Communications, 1982
- Dynamical aspects of correlation corrections in a covalent crystalPhysical Review B, 1982
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981
- Descriptions of exchange and correlation effects in inhomogeneous electron systemsPhysical Review B, 1979
- Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gasPhysical Review B, 1978
- Frequency- and Wave-Vector-Dependent Dielectric Function for SiliconPhysical Review B, 1972
- One-Particle Properties of an Inhomogeneous Interacting Electron GasPhysical Review B, 1966
- New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas ProblemPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964