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Model dielectric matrices for quasiparticle self-energy calculations

Mark S. Hybertsen and Steven G. Louie
Phys. Rev. B 37, 2733(R) – Published 15 February 1988
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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.

  • Received 11 September 1987


©1988 American Physical Society

Authors & Affiliations

Mark S. Hybertsen

  • AT&T Bell Laboratories, Murray Hill, New Jersey 07974

Steven G. Louie

  • Department of Physics, University of California, Berkeley, California 94720

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Vol. 37, Iss. 5 — 15 February 1988

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