CVM studies on the atomic ordering in complex perovskite alloys

Details CVM studies on the atomic ordering in complex perovskite alloys CVM studies on the atomic ordering in complex perovskite alloys

2000-05-22

arxiv.org/abs/cond-mat/0005341v1

Phys. Rev. B 61, 11918 (2000)

Physics

Condensed Matter

Materials Science

10 pages, 6 figures

Scientific paper

10.1103/PhysRevB.61.11918

The atomic ordering in complex perovskite alloys is investigated by the cluster variation method (CVM). For the 1/3\{111\}-type ordered structure, the order-disorder phase transition is the first order, and the order parameter of the 1:2 complex perovskite reaches its maximum near x=0.25. For the 1/2\{111\}-type ordered structure, the ordering transition is the second order. Phase diagrams for both ordered structures are obtained. The order-disorder line obeys the linear law.

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