Dielectric scaling of the self-energy scissor operator in semiconductors and insulators
Abstract
The self-energy correction to local-density-functional theory energy gaps of insulators can be approximated as a large, constant energy shift (the scissor operator) of unoccupied bands relative to occupied bands, modulated by smaller wave-vector- and energy-dependent components. A rule for estimating the scissor correction is reported that allows for an approximate yet reasonably accurate correction to density-functional gaps. The validity of the proposed correction is demonstated for a large set of insulators.
- Publication:
-
Physical Review B
- Pub Date:
- June 1995
- DOI:
- 10.1103/PhysRevB.51.17196
- Bibcode:
- 1995PhRvB..5117196F
- Keywords:
-
- 71.25.Tn;
- 71.25.Rk