First-principles calculations of the lattice dynamics of CuInSe2

被引：38

作者：

Lazewski, J

Parlinski, K

Hennion, B

Fouret, R

机构：

[1] Inst Nucl Phys, PL-31342 Krakow, Poland

[2] CEA Saclay, Leon Brillouin Lab, F-91191 Gif Sur Yvette, France

[3] Univ Lille 1, Lab Dynam & Struct Mat Mol, F-59655 Villeneuve Dascq, France

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1999年 / 11卷 / 48期

关键词：

D O I：

10.1088/0953-8984/11/48/323

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structure and lattice dynamics of CuInSe2 were studied using ab initio calculations. The phonon dispersion relations and phonon density of states were calculated using the direct method. The results are in good agreement with recently obtained inelastic neutron scattering data.

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页码：9665 / 9671

页数：7

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