Journal ArticleDOI
Lattice dynamics of chalcopyrite type compounds. Part I. Vibrational frequencies
F. W. Ohrendorf,H. Haeuseler +1 more
TLDR
In this article, the vibrational frequencies of chalcopyrite type compounds are derived from the zone center or zone boundary vibrations of the sphalerite lattice assuming similar bonding and normal co-ordinates in all compounds investigated.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.read more
Citations
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Temperature dependence of band gaps in semiconductors: Electron-phonon interaction
J. S. Bhosale,A. K. Ramdas,Arnold Burger,Alfonso Muñoz,Alessandra Romero,Manuel Cardona,R. Lauck,R. K. Kremer +7 more
TL;DR: In this paper, the phonon properties of several semiconductors with chalcopyrite structure were theoretically investigated, by ab initio techniques, and the temperature dependence of the energy gap was analyzed by fitting two Bose-Einstein oscillators with weights of opposite sign leading to an increase at low temperatures and a decrease at higher temperatures.
Journal ArticleDOI
Raman investigation of chalcopyrite oxidation
TL;DR: Raman spectroscopic investigations have been carried out on the oxidation, utilising ferric ion or potential control, of chalcopyrite in chloride and sulfate media as mentioned in this paper.
Journal ArticleDOI
Equilibrium isotopic fractionation of copper during oxidation/reduction, aqueous complexation and ore-forming processes: Predictions from hybrid density functional theory
TL;DR: In this paper, the reduced partition function ratios for chalcopyrite, cuprite, tenorite, and aqueous Cu+2 complexes were calculated using periodic and molecular hybrid density functional theory to predict the equilibrium isotopic fractionation of Cu resulting from oxidation of Cu+ to Cu+, by complexation of dissolved Cu.
Journal Article
Temperature dependence of band gaps in semiconductors: Electron-phonon interaction
J. S. Bhosale,A. K. Ramdas,Arnold Burger,A. Mu ~{n}oz,Alessandra Romero,Manuel Cardona,R. Lauck,R. K. Kremer +7 more
TL;DR: In this article, the phonon properties of several semiconductors with chalcopyrite structure were theoretically investigated, by ab initio techniques, by fitting two Bose-Einstein oscillators with weights of opposite sign leading to an increase at low temperatures and a decrease at higher temperatures.
Journal ArticleDOI
Synchrotron-based XPS and NEXAFS study of surface chemical species during electrochemical oxidation of chalcopyrite
TL;DR: In this article, the surface chemical information of massive chalcopyrite electrode during electrochemical oxidation was studied by SXPS, NEXAFS and Raman spectroscopy.
References
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Journal ArticleDOI
Lattice vibrations of CuInSe2 and CuGaSe2 by Raman microspectrometry
C. Rincón,Francisco J. Ramírez +1 more
TL;DR: In this paper, the vibrational spectra of the chalcopyrite compounds CuInSe2 and CuGaSe2 have been studied by Raman microspectrometry.
Journal ArticleDOI
Raman spectra of CuInSe2.
TL;DR: Gan et al. as discussed by the authors measured Raman spectra of single crystals at room and low temperatures and determined all Raman active modes, including the optical-phonon modes.
Journal ArticleDOI
Zone‐centered phonons in AIBIIIS2 chalcopyrites
W. H. Koschel,M. Bettini +1 more
TL;DR: In this paper, the spectra of the zone-centered phonons in five compounds of the AIBIIIS2 chalcopyrite (ch) family are completed by IR absorption and Raman scattering measurements.
Journal ArticleDOI
Lattice vibrations of AgGa S 2 , AgGa Se 2 , and CuGa S 2
TL;DR: In this paper, a Kramers-Kronig analysis of the ir reflectivity of the Raman spectra of AgGa, AgGa${\mathrm{S}}_{2} and CuGa${S}$ was performed using argon, krypton, and dye lasers.
Journal ArticleDOI
Pressure dependence of the Raman modes and pressure-induced phase changes in CuGaS 2 and AgGaS 2
TL;DR: In this paper, the effect of pressure on the phonon frequencies is discussed in terms of Born's transverse dynamical charges and their pressure dependence, and it is concluded that the first phase transition takes place in all these materials whenever the lowest ε = 0.7 times its zero-pressure value.