Lattice dynamics of chalcopyrite type compounds. Part III. Rigid ion model calculations

被引：0

作者：

Ohrendorf, FW ^{[1
]}

Haeuseler, H ^{[1
]}

机构：

[1] Univ Gesamthsch Siegen, Anorgan Chem Lab, D-57068 Siegen, Germany

来源：

CRYSTAL RESEARCH AND TECHNOLOGY | 1999年 / 34卷 / 03期

关键词：

chalcopyrites; lattice dynamics; rigid ion model; effective charges; force constants;

D O I：

10.1002/(SICI)1521-4079(199903)34:3<363::AID-CRAT363>3.0.CO;2-Q

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The lattice dynamics of 12 chalcopyrite type compounds CuAlS2, CuGaS2, CuInS2, AgGaS2, AgGaSe2, AgInSe2, ZnSiP2, ZnGeP2, CdSiP2, CdGeP2, CdSnP2, and CdGeAs2 have been investigated based on a rigid ion model. As the anisotropy of the dynamic charges is not very pronounced the calculations were done assuming isotropic charges. The calculated force constants, normal co-ordinates and potential energy distributions are compiled and discussed.

引用

页码：363 / 378

页数：16