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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Theory of order-disorder phase transitions of B-cations in AB'_(1/2)B'_(1/2)O_3 perovskites
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Theory of order-disorder phase transitions of B-cations in AB'_(1/2)B'_(1/2)O_3 perovskites

机译：AB'_（1/2）B“_（1/2）O_3 Perovskites中B阳离子的秩序障碍相变理理论

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摘要

Perovskite-like oxides AB'_(1/2)B"_(1/2)O_3 with two different cations in the B-sublattice may experience cation order-disorder phase transitions. In many cases the degree of cation ordering can be varied by suitable synthesis conditions or subsequent sample treatment, which has a fundamental impact on the physical properties of such compounds. Therefore, understanding the mechanism of cation order-disorder phase transition and estimation of the phase transition temperature is of paramount importance for tuning of properties of such double perovskites. In this work, based on the earlier proposed cation-anion elastic bonds model, a theory of order-disorder phase transitions of B-cations in AB'_(1/2)B"_(1/2)O_3 perovskites is presented, which allows reliable estimation of the phase transition temperatures and of the reduced lattice constants of such double perovskites.
机译：钙钛矿类似氧化物AB'_（1/2）B“_（1/2）O_3，B-Sublattice中的两个不同阳离子可能经历阳离子紊乱相转变。在许多情况下，可以改变阳离子排序程度 通过合适的合成条件或随后的样品处理，这对这些化合物的物理性质产生了根本的影响。因此，了解阳离子秩序紊乱相转变的机制和相变温度的估计对于调整性质至关重要 这种双重佩洛斯库特。在这项工作中，基于先前提出的阳离子弹性键模型，AB'_（1/2）B“_（1/2）O_3的B-Cations的秩序紊乱相变理理论 提出了佩洛夫斯基酯，其允许可靠地估计相变温度和这种双重钙质的减少的晶格常数。

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