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The role of orbital ordering in the tetragonal-to-cubic phase transition in CuCr2O4

机译:轨道有序在CuCr2O4的四方相到立方相变中的作用

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摘要

Copper(II) chromite (CuCr2O4) undergoes a first-order structural transition from a tetragonal distorted spinel structure in spacegroup (14(1)/amd) to a cubic spinel structure in Fd (3) over barm, near 600 degrees C. The transition has been followed using synchrotron X-ray powder diffraction between room temperature and 750 degrees C. The structure changes as a consequence of a transition from an orbitally ordered to orbital disordered state associated with a Jahn-Teller-type distortion of the CuO4 tetrahedron. The orbital melting results in a small increase in cell volume.
机译:亚铬酸铜(CuCr2O4)在空间温度接近600摄氏度时经历了从空间群中的四方扭曲尖晶石结构(14(1)/ amd)到Fd(3)中的立方尖晶石结构的一级结构转变。在室温和750摄氏度之间使用同步加速器X射线粉末衍射进行了跃迁。结构的改变是由于与CuO4四面体的Jahn-Teller型畸变相关的从轨道有序态到轨道无序态转变的结果。轨道融化导致细胞体积的少量增加。

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