The Mn-O bonds Dependence of the Lattice Distortion in LaMnO3

M. R. Ahmed, A. Ahmed, A. Diab, S. Abo-elhasan, G. Gehring
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引用次数: 1

Abstract

We have investigated the volume collapse occurring in LaMnO3 unit cell using the anisotropic Potts model modified by two types of anisotropic interactions which has been used to study the change of Mn-O bonds lengths as function of temperature. The bond lengths are related to the occupation of the orbits. The lattice parameters and the distortion modes have been investigated as well. We have shown that the collapse is due to the change of Mn-O bonds lengths change as the temperature is raised through the transition. It has been shown that all the parameters studied here decrease with increasing temperature in a narrow temperature range below TJT, and then undergoes a collapse at TJT. These results are in a good agreement with the published experimental results.
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Mn-O键对LaMnO3晶格畸变的影响
我们利用两种各向异性相互作用修正的各向异性Potts模型研究了LaMnO3单元胞中发生的体积坍缩,该模型已用于研究Mn-O键长度随温度的变化。键长与轨道的占用有关。并对晶格参数和畸变模式进行了研究。我们已经证明,坍塌是由于Mn-O键的长度随着温度的升高而变化。结果表明,在温度低于TJT时,各参数均随温度升高而减小,在TJT时发生坍塌。这些结果与已发表的实验结果符合得很好。
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