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
收藏
页码：363 / 378
页数：16
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