Debye-Waller factors and absorptive scattering factors of elemental crystals

被引:196
作者
Peng, LM [1 ]
Ren, G [1 ]
Dudarev, SL [1 ]
Whelan, MJ [1 ]
机构
[1] UNIV OXFORD, DEPT MAT, OXFORD OX1 3PH, ENGLAND
来源
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 1996年 / 52卷
关键词
D O I
10.1107/S010876739600089X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Debye-Waller factors and absorptive scattering factors are given of 44 elemental crystals over the temperature range from 1 to 1000 K or to the melting temperature, whichever is smaller. The Debye-Waller factors are derived from the experimentally determined phonon density of states and the accuracy of these factors is typically 2 to 3%. Necessary data have also been compiled for an additional 22 elemental crystals for which the characteristic Debye temperatures are known. These data can be used to estimate the Debye-Waller factor at any temperature using the analytical Debye expression of the phonon density of states.
引用
收藏
页码:456 / 470
页数:15
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