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Local structure of ReO_3 at ambient pressure from neutron total-scattering study

机译:中子全散射研究常压下ReO_3的局部结构

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摘要

A hypothesis that the local rotations of ReO_6 octahedra persist in the crystallographically untilted ambient phase of ReO_3 is examined by the high-resolution neutron time-of-flight total scattering based atomic pair distribution function analysis. Three candidate models were tested, Pm3m, P4/mbm, and Im3, for the local structure of ReO_3 at ambient pressure and 12 K, and both quantitative and qualitative assessments of the data were performed. No evidence for large local octahedral rotations was found, suggesting that the local and the average structures are the same (Pm3m) as normally assumed.
机译:ReO_6八面体的局部旋转在ReO_3的晶体学成象的环境相中持续存在的假说通过高分辨率中子飞行时间全散射基于原子对分布函数分析得到检验。对ReO_3在环境压力和12 K下的局部结构测试了三个候选模型Pm3m,P4 / mbm和Im3,并对数据进行了定量和定性评估。没有发现大的局部八面体旋转的证据,这表明局部和平均结构与通常假定的相同(Pm3m)。

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  • 来源
    《Physical review》 |2012年第9期|p.094110.1-094110.4|共4页
  • 作者单位

    Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, New York 11973, USA;

    Institut Laue-Langevin, 6 rue Jules Horowitz, Boite Postale 156, Grenoble cedex 9, France;

    Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, New York 11973, USA,Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    inorganic compounds; thermal expansion; thermomechanical effects;

    机译:无机化合物热膨胀;热力学效应;

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