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Lattice Dynamics of Chalcopyrite Type Compounds Part IV. Calculations of TO Phonon Modes in a Reduced Rigid Ion Model
Author(s) -
Ohrendorf F.W.,
Haeuseler H.
Publication year - 2000
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 - 10.1002/1521-4079(200005)35:5<569::aid-crat569>3.0.co;2-a
Subject(s) - chalcopyrite , phonon , force constant , ion , chemistry , lattice constant , lattice (music) , lattice energy , condensed matter physics , computational chemistry , crystal structure , crystallography , physics , copper , quantum mechanics , molecule , diffraction , 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 5‐parameter model involving two short range stretching force constants, an interaction constant, and the effective dynamic charges of the cations. The calculated force constants, normal co‐ordinates and potential energy distributions are compiled and discussed.