Good semiconductor band gaps with a modified local-density approximation
- 15 April 1990
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 41 (11) , 7868-7871
- https://doi.org/10.1103/physrevb.41.7868
Abstract
The exchange operator is divided into two parts, a Thomas-Fermi screened exchange operator and the remainder. The remainder and correlation are treated in the local-density approximation, while the screened exchange matrix elements are exactly evaluated. Calculations for Si result in much improved band gaps as well as an improved exchange contribution to the binding energy.Keywords
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