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.
Andrey V. Kretinin, Guoliang Yu, R. Jalil, Yang Cao, Freddie Withers, Artem Mishchenko, M. I. Katsnelson, Konstantin ‘kostya’ Novoselov, A. K. Geǐm, F. Guinea
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