Ab initio calculations of the lattice dynamics of silver halides

被引：0
|
作者：
A. B. Gordienko
N. G. Kravchenko
A. N. Sedelnikov
机构：
[1] Kemerovo State University,
来源：
Russian Physics Journal | 2010年 / 53卷
关键词：
lattice dynamics; ab initio calculations; pseudopotentials; phonon spectra;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Based on ab initio pseudopotential calculations, the results of investigations of the lattice dynamics of silver halides AgHal (Hal = Cl, Br, I) are presented. Equilibrium lattice parameters, phonon spectra, frequency densities and effective atomic-charge values are obtained for all types of crystals under study.
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页码：692 / 697
页数：5
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