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The band structure of lithium with a screened non-local crystal potential

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Zeitschrift für Physik B Condensed Matter

Abstract

Wave functions and energy eigenvalues for Li have been calculated with the MAPW-method, using a one-particle potential constructed from the Coulomb potentials of the nuclei and the electrons and a non-local screened exchange potential. Using different interpolation schemes starting from the results along the principal axes, the Fermi energy, the Fermi surface, its extremal cross sections, different masses and the contribution of the conduction electrons to the Knight shift are determined.

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Author notes

  1. G. Bohn

    Present address: Messerschmitt-Bölkow-Blohm GmbH, Robert-Koch-Straße, D-8012, Ottobrunn, Federal Republic of Germany

Authors and Affiliations

  1. Sektion Physik, Universität München, Theresienstraße 37, D-8000, München 2, Federal Republic of Germany

    H. Bross

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  1. H. Bross
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Bross, H., Bohn, G. The band structure of lithium with a screened non-local crystal potential. Z Physik B 20, 261–274 (1975). https://doi.org/10.1007/BF01352588

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  • DOI: https://doi.org/10.1007/BF01352588

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