Parameterization of the temperature dependence of the Debye-Waller factors

被引：136

作者：

Gao, HX

Peng, LM

机构：

[1] Chinese Acad Sci, Beijing Lab Electron Microscopy, Ctr Condensed Matter Phys, Beijing 100080, Peoples R China

[2] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China

[3] Peking Univ, Dept Elect, Beijing 100871, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 1999年 / 55卷

关键词：

D O I：

10.1107/S0108767399005176

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Parameterization has been made for the temperature dependence of the Debye-Waller factors of 68 elemental crystals and 17 compounds with the zincblende structure. The Debye-Waller factors of 46 elemental crystals were calculated based on the available phonon density of states, and those of the remaining 22 elemental crystals were estimated using the Debye approximation for the phonon density of states. The Debye-Waller factors of the zinc-blende compounds were obtained from the 14-parameter shell-model calculations of Reid [Acta Cryst. (1983), A39, 1-13].

引用

页码：926 / 932

页数：7

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