Debye-Waller factors and absorptive scattering factors of elemental crystals

被引：189

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

页码：456 / 470

页数：15

共 24 条

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