Local-field and exchange-correlation effects in optical spectra of semiconductors

Abstract
The density-functional theory with ab initio pseudopotentials has been used to study the linear optical response of semiconductors. We present results for optical spectra where the effects of the macroscopic local-field and microscopic exchange-correlation interaction are included beyond diagonal and random-phase approximations. Quasiparticle corrections to the single-particle energies have been added in the polarization function. Numerical calculations are performed for the column-IV materials Si, SiC, and diamond as model substances. © 1996 The American Physical Society.