Cluster-variation-method studies on the atomic ordering in complex perovskite alloys

Zhi-Rong Liu, Jian-She Liu, Bing-Lin Gu, and Xiao-Wen Zhang
Phys. Rev. B 61, 11918 – Published 1 May 2000
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Abstract

The atomic ordering in complex perovskite alloys is investigated by the cluster variation method. 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.

  • Received 7 April 1999

DOI:https://doi.org/10.1103/PhysRevB.61.11918

©2000 American Physical Society

Authors & Affiliations

Zhi-Rong Liu

  • Department of Modern Applied Physics, Tsinghua University, Beijing 100 084, People’s Republic of China

Jian-She Liu

  • Center for Advanced Study, Tsinghua University, Beijing 100 084, People’s Republic of China

Bing-Lin Gu

  • Department of Modern Applied Physics, Tsinghua University, Beijing 100 084, People’s Republic of China

Xiao-Wen Zhang

  • Department of Materials Science and Engineering, Tsinghua University, Beijing 100 084, People’s Republic of China

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Vol. 61, Iss. 18 — 1 May 2000

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