Good semiconductor band gaps with a modified local-density approximation

D. M. Bylander and Leonard Kleinman
Phys. Rev. B 41, 7868 – Published 15 April 1990
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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.

  • Received 22 November 1989

DOI:https://doi.org/10.1103/PhysRevB.41.7868

©1990 American Physical Society

Authors & Affiliations

D. M. Bylander and Leonard Kleinman

  • Department of Physics, University of Texas, Austin, Texas 78712

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Issue

Vol. 41, Iss. 11 — 15 April 1990

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