Crystal Research and Technology
Cryst. Res. Technol. 34 (1999) 339 - Abstract -

F. W. OHRENDORF, H. HAEUSELER

Laboratorium für Anorganische Chemie, Universität Siegen, Germany

Lattice Dynamics of Chalcopyrite Type Compounds. Part I. Vibrational Frequencies

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.

Keywords: chalcopyrite, vibartional spectra



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