First principles methods for elpasolite halide crystal structure prediction at finite temperatures

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作者：
Nicholson, Kelly M. [1 ]
Kang, Sung Gu [1 ]
Sholl, David S. [1 ]
机构：
[1] School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0100, United States
来源：
Journal of Alloys and Compounds | 2013年 / 577卷
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页码：463 / 468
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