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Multiatom interactions in the fcc Ising binary alloy: low-temperature behavior and Monte Carlo simulations

An Ising model of an ordering binary alloy on the face-centered-cubic lattice, such as Cu--Au, was investigated. This model contains multiatom interactions on the triangles and tetrahedra of the lattice and the usual repulsions on the nearest-neighbor bonds. The model's ground states and its lo...

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Bibliographic Details
Published in:Physical review. B, Condensed matter Condensed matter, 1986-09, Vol.34 (5), p.3361-3370
Main Authors: STYER, D. F, PHANI, M. K, LEBOWITZ, J. L
Format: Article
Language:English
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Summary:An Ising model of an ordering binary alloy on the face-centered-cubic lattice, such as Cu--Au, was investigated. This model contains multiatom interactions on the triangles and tetrahedra of the lattice and the usual repulsions on the nearest-neighbor bonds. The model's ground states and its low-temperature equilibrium states are examined. There are an infinite number of the former but only a few of the latter. Its phase diagram is also studied using Monte Carlo simulations, which confirm the broad conclusions of previous cluster-variation-method calculations, particularly near stoichiometry. Even small triangular interactions can introduce dramatic asymmetry into the phase diagram, making it similar to those observed in real alloys. 40 ref.--AA
ISSN:0163-1829
1095-3795
DOI:10.1103/PhysRevB.34.3361