Vibrational properties of crystalline Sb2Te3 from first principles

被引：150

作者：

Sosso, G. C. ^{[1
]}

Caravati, S. ^{[1
,2
]}

Bernasconi, M. ^{[1
]}

机构：

[1] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy

[2] Swiss Fed Inst Technol, Dept Chem & Appl Biosci, CH-6900 Lugano, Switzerland

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 09期

关键词：

PHONONS; RAMAN;

D O I：

10.1088/0953-8984/21/9/095410

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons.

引用

页数：6

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