Positional disorder of oxygen ions in ceria at high temperatures
Positional disorder of oxygen ions in ceria at high temperatures
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DOI：
10.1063/1.1644053
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发表时间：
2004-01
影响因子：
4
通讯作者：
M. Yashima;Syuuhei Kobayashi
中科院分区：
文献类型：
--
作者：
M. Yashima;Syuuhei Kobayashi
利用中子粉末衍射数据，结合Rietveld方法，采用基于最大熵的图样拟合方法，研究了CeO_2、CeO_2在1005~1497℃温度范围内的精确核密度分布。结果表明，氧离子具有复杂的无序分布，并从理想的萤石位置向<111>方向移动。温度越高，这一特征越明显，这与较高的离子导电性是一致的。
Accurate nuclear density distribution of ceria, CeO2 has been studied between 1005 and 1497 °C by the maximum-entropy method-based pattern fitting combined with the Rietveld method using neutron powder diffraction data. The results reveal that the oxygen ions have a complicated disorder spreading over a wide area and shift to the 〈111〉 directions from the ideal fluorite position. This feature is more significant at higher temperatures, which is consistent with the higher ionic conductivity.