Re-examination of BCC based phase diagrams with constant first and second neighbor pair interactions in the cluster variation approximation

M. Sluitter, P. Turchi, Fu Zezhong and D. De Fontaine

Physica A: Statistical Mechanics and its Applications, 1988, vol. 148, issue 1, 61-73

Abstract: The tetrahedron approximation of the Cluster Variation Method (CVM) has been employed to calculate a number of BCC phase diagrams. Concentration-independent nearest- and next-nearest neighbor interactions (V1 and V2, respectively) have been varied so that the ratio of V2 over V1 takes values between 0.6 and unity. Special attention has been paid to the region where the B2 and B32 ordered phases have almost equal ground state energies. Some important features of the phase diagrams obtained with the CVM calculations have been compared with predictions from both low-temperature expansions and the Landau theory.

Date: 1988
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:148:y:1988:i:1:p:61-73

DOI: 10.1016/0378-4371(88)90134-3

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