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

Abstract

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.

Optimization of Electrochemically Deposited Highly Doped ZnO Bilayers on Ga-Rich Chalcopyrite Selenide for Cost-Effective Photovoltaic Device Technology

“…The mode-vibrations of the material of reference CuInSe 2 are described in [34]. The vibrational frequencies of CuInSe 2 , CuGaSe 2 , and several other chalcopyrite type compounds are given in [35]. In the spectral region 150-300 cm − [36].…”

Sol–gel assisted preparation and characterization of silver indium diselenide powders

“…Two major peaks were observed around 141.46 cm −1 and 164.13 cm −1 , which were assigned B 2 mode and A 1 mode, respectively. The A 1 mode at 164.13 cm −1 corresponds to the movement of anions (Se) with other cations at rest in the chalcopyrite structure [24]. The B 2 mode at 141.46 cm −1 represents the associated motion between anions (Se) and cations (Ag and In) in the chalcopyrite structure [24].…”

“…The A 1 mode at 164.13 cm −1 corresponds to the movement of anions (Se) with other cations at rest in the chalcopyrite structure [24]. The B 2 mode at 141.46 cm −1 represents the associated motion between anions (Se) and cations (Ag and In) in the chalcopyrite structure [24]. The above results confirmed the crystal structure of AgInSe 2 .…”

Structural and optical characterization of CuInS2 quantum dots synthesized by microwave-assisted continuous flow methods

“…4b) showed a similar trend with the main peak, the A1 vibrational mode, moving from a Raman shift of 291 cm -1 for the core to 281 cm -1 for the core/shell sample. The 291 cm -1 position for the A1 peak can be attributed to vibrations of the sulfur sublattice (Ohrendorf and Haeuseler 1999) and has been reported previously for chalcopyrite CuInS 2 (Wu and Wang 2011). The decrease in the Raman shift is consistent with the shorter bond length of zincblende ZnS.…”