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    Band Structure of Solid Argon

    R. S. Knox*

    F. Bassani

    • University of Rochester, Rochester, New York, and Argonne National Laboratory, Argonne, Illinois

    • Argonne National Laboratory, Argonne, Illinois

    • *Present address: University of Rochester, Rochester 20, New York.

    Phys. Rev. 124, 652 – Published 1 November, 1961

    DOI: https://doi.org/10.1103/PhysRev.124.652

    Abstract

    The orthogonalized plane wave method, in a perturbation approximation recently introduced by Bassani and Celli, is used to compute the lowest lying conduction states in (fcc) solid argon at the symmetry points Γ, X, L, and K. The 3s and 3p valence bands are treated by tight-binding theory. The potential used in the computation consists of a sum of effective atomic potentials in which a free-electron-like expression is used for the exchange contribution. The lowest conduction state appears to be s-like (Γ1), lying 12.4 ev above the highest valence state (Γ15). The results of the computation are compared with present theoretical and experimental knowledge of the electronic structure of the solid rare gases.

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