Band Structure and Fermi Surface of Cu2Sb by the LMTO Method

J. P. Jan, Hans Lomholt Skriver

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    Abstract

    The linear muffin-tin orbital (LMTO) method of bandstructure calculation has been applied to the simple tetragonal compound Cu2Sb. The d bands of Cu lie substantially below the Fermi level, and the Fermi surface is a recognizable distortion of the free-electron model. The Fermi surface has sheets in four bands. The first and second bands contain closed sheets, degenerate along a plane in the absence of spin-orbit splitting. The third band contains a multiply-connected sheet. The fourth band consists of undulating columns, degenerate along a plane with the third band in the absence of spin-orbit splitting, and of another closed sheet. Earlier de Haas-van Alphen results are explained semiquantitatively by the model, which also accounts for open orbits seen in high-field magnetoresistance experiments.
    Original languageEnglish
    JournalJournal of Physics F: Metal Physics
    Volume7
    Issue number6
    Pages (from-to)957-967
    ISSN0305-4608
    DOIs
    Publication statusPublished - 1977

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