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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2018 Volume 60, Issue 11, Pages 2265–2269 (Mi ftt9028)

This article is cited in 3 papers

Lattice dynamics

Ab initio calculations of phonon dispersion in CdGa$_{2}$S$_{4}$

Z. A. Jahangirliab, T. G. Kerimovaa, I. A. Mamedovaa, N. A. Abdullaeva, N. T. Mamedova

a Institute of Physics, Azerbaijan National Academy of Sciences, Baku, Azerbaijan
b Azerbaijan Technical University, Baku

Abstract: The phonon spectrum of CdGa$_{2}$S$_{4}$ has been experimentally investigated by Raman spectroscopy and theoretically analyzed using the density functional theory (DFT). Eleven active Raman modes (at 83, 135, 165, 219, 243, 260, 310, 322, 352, 361, and 392 cm$^{-1}$) have been detected and identified. The identification of all vibrational modes is based on consideration of the point symmetry group. The results are compared with the existing experimental IR spectroscopy and Raman scattering data.

Keywords: CdGa 2S, Phonon Spectrum, Density Functional Perturbation Theory (DFPT), Valence Bond Lengths, Equilibrium Atomic Positions.

Received: 23.11.2017
Revised: 09.03.2018

DOI: 10.21883/FTT.2018.11.46675.338


 English version:
Physics of the Solid State, 2018, 60:11, 2305–2309

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