Abstract
The cluster variation method is used to calculate a phase diagram for a two-dimensional Ising model representing the Cu2O plane of the high-T c superconductor YBa2Cu3Oz. Both first (V 1 and second-neighbor (V 2) interactions are considered, withV 2/V 1= −1/2; At high temperatures, the transition from the disordered (tetragonal) to the ordered (orthorhombic) phase is second-order. A tricritical point is found below which phase separation occurs. Fractional site occupancy and second-neighbor pair correlations are calculated as a function of temperature. The relevance of the model to the thermodynamics of ordering in the high-T c compound is discussed.
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Berera, A., Wille, L.T. & de Fontaine, D. Oxygen-vacancy ordering in the YBa2Cu3Oz basal plane studied by the cluster variation method. J Stat Phys 50, 1245–1253 (1988). https://doi.org/10.1007/BF01019163
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DOI: https://doi.org/10.1007/BF01019163