Crystal structure of perovskite PbZrO3 re-investigated by high resolution powder neutron diffraction

被引:12
|
作者
Fujishita, H [1 ]
Katano, S
机构
[1] Kanazawa Univ, Dept Phys, Kanazawa, Ishikawa 920, Japan
[2] Japan Atom Energy Res Inst, Adv Sci Res Ctr, Tokai, Ibaraki 31911, Japan
关键词
antiferroelectrics; crystal structure; powder neutron diffraction; PbZrO3;
D O I
10.1080/00150199808015017
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
High resolution powder neutron diffraction data of antiferroelectric PbZrO3 at room temperature have been re-analyzed to estimate the standard deviations of the structure parameters according to the conventional method. The estimated standard deviations presently obtained were remarkably smaller than those according to the method by Scott obtained in the previous Rietveld refinement. The antiferroelectric structure of PbZrO3 was compared with the structure investigated using local-density calculations.
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页码:17 / 20
页数:4
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