Phys. Rev. B 37, 2733 - 2736 (1988)

Model dielectric matrices for quasiparticle self-energy calculations

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Mark S. Hybertsen
AT&T Bell Laboratories, Murray Hill, New Jersey 07974

Steven G. Louie
Department of Physics, University of California, Berkeley, California 94720

Rapid Communication Received 11 September 1987

A computationally simple model for the full static dielectric matrices is proposed for use in self-energy calculations to obtain quasiparticle energies and band gaps. The screening hole around an added electron at a given point in the crystal is approximated by the screening response of a homogeneous medium determined by the local density. The resulting approximation to the screening potential includes the crucial part of the local fields. When used with the previously developed self-energy approach, quasiparticle energies and band gaps in good agreement with experimental results are obtained for diamond, Si, and Ge.


©1988 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.37.2733
DOI: 10.1103/PhysRevB.37.2733
PACS: 71.45.Gm, 71.10.+x, 71.25.Rk

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