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Lattice Dynamics of Chalcopyrite Type Compounds. Part III. Rigid Ion Model Calculations
Author(s) -
Ohrendorf F. W.,
Haeuseler H.
Publication year - 1999
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/(sici)1521-4079(199903)34:3<363::aid-crat363>3.0.co;2-q
Subject(s) - chalcopyrite , isotropy , anisotropy , ion , chemistry , lattice (music) , lattice energy , computational chemistry , condensed matter physics , crystal structure , crystallography , copper , physics , quantum mechanics , organic chemistry , acoustics
The lattice dynamics of 12 chalcopyrite type compounds CuAlS 2 , CuGaS 2 , CuInS 2 , AgGaS 2 , AgGaSe 2 , AgInSe 2 , ZnSiP 2 , ZnGeP 2 , CdSiP 2 , CdGeP 2 , CdSnP 2 , and CdGeAs 2 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.