Quasiparticle excitation spectrum for nearly-free-electron metals

John E. Northrup, Mark S. Hybertsen, and Steven G. Louie
Phys. Rev. B 39, 8198 – Published 15 April 1989
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Abstract

The quasiparticle excitation spectrum is calculated for the nearly-free-electron metals Li, Na, and Al by evaluation of the electron self-energy operator within the GW approximation and a generalized plasmon-pole model. The calculated quasiparticle energies for Na and Al are in excellent agreement with angle-resolved photoemission experiments. For Na in particular, the occupied-band width is significantly narrower than the free-electron value, as found in experiment. Inclusion of exchange and correlation effects in the dielectric matrix is shown to decrease the bandwidth relative to the random-phase-approximation result by a significant amount. Local-field effects, reflected in the off-diagonal elements of the dielectric matrix, are found to have little effect on the quasiparticle band structure of these simple metals.

  • Received 21 December 1988

DOI:https://doi.org/10.1103/PhysRevB.39.8198

©1989 American Physical Society

Authors & Affiliations

John E. Northrup

  • Xerox Corporation, Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304

Mark S. Hybertsen

  • AT&T Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07974-2070

Steven G. Louie

  • Department of Physics, University of California, Berkeley, California 94720
  • Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

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Vol. 39, Iss. 12 — 15 April 1989

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