Monte Carlo simulation of polytypes

Ramasesha, S. ; Rao, C. N. R. (1977) Monte Carlo simulation of polytypes Philosophical Magazine, 36 (4). pp. 827-833. ISSN 1478-6435

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Based on the analogy between polytypes and spin-half Ising chains with competing short- and infinite-range interactions, a Monte Carlo simulation of polytypes has been attempted. A general double-layer mechanism connects different states of the polytype chain with about the same probability as the spin-flip mechanism in magnetic Ising chains. It has been possible to simulate various polytypes with periodicities extending up to 12 layers. The Monte Carlo method should be useful in testing different interaction models that may be proposed in the future to describe polytypism.

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