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Lattice Dynamics of Chalcopyrite Type Compounds. Part I. Vibrational Frequencies
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<339::aid-crat339>3.0.co;2-e
Subject(s) - sphalerite , chalcopyrite , lattice (music) , lattice vibration , molecular vibration , vibration , periodic boundary conditions , spectral line , crystal structure , raman spectroscopy , chemistry , boundary value problem , materials science , molecular physics , condensed matter physics , crystallography , mineralogy , physics , phonon , optics , quantum mechanics , copper , metallurgy , acoustics , pyrite
To obtain a sound basis for calculations of the lattice dynamics of chalcopyrite type compounds the literature data for the vibrational frequencies of 14 chalcogenides and 8 pnictides crystallizing in this structure are critically analysed. This is done by introducing frequency ratios of those frequencies which can be derived from zone centre or zone boundary vibrations of the sphalerite lattice presuming similar bonding and normal co‐ordinates in all compounds investigated. Based on the reliable spectra vibrational frequencies have been calculated for those compounds which have not yet been investigated or for which the results given in the literature are uncertain.