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Application of group theory to the calculation of the configurational entropy in the cluster variation method

D. Gratias, J.M. Sanchez and D. De Fontaine

Physica A: Statistical Mechanics and its Applications, 1982, vol. 113, issue 1, 315-337

Abstract: The counting and classification of clusters, required for the entropy calculation in the cluster variation method, is systematically carried out for general crystal structures. The approach explicitly uses the symmetry properties of both the set of clusters and the crystal structure, in conjunction with simple group-theoretical considerations. As an illustration of the method, several new configurational entropy expressions are calculated for HCP, diamond cubic and spinel structures. For each approximation, the critical temperature of the corresponding Ising ferromagnet has been calculated.

Date: 1982
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Citations: View citations in EconPapers (2)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:113:y:1982:i:1:p:315-337

DOI: 10.1016/0378-4371(82)90023-1

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