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

G. Ceder, G. D. Garbulsky, D. Avis, and K. Fukuda
Phys. Rev. B 49, 1 – Published 1 January 1994
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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.

  • Received 9 September 1993

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

©1994 American Physical Society

Authors & Affiliations

G. Ceder and G. D. Garbulsky

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

D. Avis

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

K. Fukuda

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

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Vol. 49, Iss. 1 — 1 January 1994

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