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

Author

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

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.

Suggested Citation

  • Gratias, D. & Sanchez, J.M. & De Fontaine, D., 1982. "Application of group theory to the calculation of the configurational entropy in the cluster variation method," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 113(1), pages 315-337.
    • Handle: RePEc:eee:phsmap:v:113:y:1982:i:1:p:315-337
    DOI: 10.1016/0378-4371(82)90023-1
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    Cited by:

    1. Sanchez, J.M. & Ducastelle, F. & Gratias, D., 1984. "Generalized cluster description of multicomponent systems," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 128(1), pages 334-350.
    2. Bondarev, B.V., 1989. "Binary alloys. Statistical theory of non-equilibrium states. Kinetics of ordering," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 155(1), pages 123-166.

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