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    Ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor interactions

    G. Ceder and G. D. Garbulsky

    D. Avis

    K. Fukuda

    • Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

    • School of Computer Science, McGill University, Montreal, Quebec, Canada H3A 2A7

    • Graduate School of Systems Management, University of Tsukuba, Tokyo, 3-29-1 Otsuka, Bunkyo-ku, Tokyo 112, Japan

    Phys. Rev. B 49, 1 – Published 1 January, 1994

    DOI: https://doi.org/10.1103/PhysRevB.49.1

    Abstract

    The possible ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor pair interactions are investigated by constructing an eight-dimensional configuration polytope and enumerating its vertices. Although a structure could not be constructed for most of the vertices, 31 ternary ground states are found, some of which correspond to structures that have been observed experimentally.

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