Lattice dynamics of antimony at high pressure: an ab initio study

被引：3
|
作者：
Serrano, J. [1 ]
Romero, A. H. [2 ]
机构：
[1] Univ Politecn Cataluna, EPSC, ICREA, Dept Fis Aplicada, Castelldefels, Spain
[2] CINVESTAV, Unidad Queretaro, Queretaro, Qro, Mexico
来源：
HIGH PRESSURE RESEARCH | 2008年 / 28卷 / 04期
关键词：
antimony; phonons; ab initio simulations; anharmonicity;
D O I：
10.1080/08957950802500183
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We report ab initio calculations of the lattice dynamics of antimony as a function of pressure. Analysis of reported Raman data using calculated two-phonon densities of states allows us to weigh the contribution of anharmonicity to the observed broadening upon increase of pressure. We discuss other plausible mechanisms required to account for the pressure dependence of the Raman linewidths.
引用
收藏
页码：477 / 481
页数：5
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