Dielectric scaling of the self-energy scissor operator in semiconductors and insulators
- 15 June 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 51 (23) , 17196-17198
- https://doi.org/10.1103/physrevb.51.17196
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.Keywords
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