Abstract:
The phonon spectrum of CdGa2S4 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.
Citation:
Z. A. Jahangirli, T. G. Kerimova, I. A. Mamedova, N. A. Abdullaev, N. T. Mamedov, “Ab initio calculations of phonon dispersion in CdGa2S4”, Fizika Tverdogo Tela, 60:11 (2018), 2265–2269; Phys. Solid State, 60:11 (2018), 2305–2309
\Bibitem{JahKerMam18}
\by Z.~A.~Jahangirli, T.~G.~Kerimova, I.~A.~Mamedova, N.~A.~Abdullaev, N.~T.~Mamedov
\paper Ab initio calculations of phonon dispersion in CdGa$_{2}$S$_{4}$
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 11
\pages 2265--2269
\mathnet{http://mi.mathnet.ru/ftt9028}
\crossref{https://doi.org/10.21883/FTT.2018.11.46675.338}
\elib{https://elibrary.ru/item.asp?id=36903781}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 11
\pages 2305--2309
\crossref{https://doi.org/10.1134/S1063783418110069}
Linking options:
https://www.mathnet.ru/eng/ftt9028
https://www.mathnet.ru/eng/ftt/v60/i11/p2265
This publication is cited in the following 4 articles:
I. A. Mamedova, Z. A. Jahangirli, N. A. Abdullayev, “Electronic Properties of CdGa2S4: Ab Initio Calculations and Experimental Studies by Spectral Ellipsometry”, Phys. Solid State, 66:10 (2024), 365
I. A. Mamedova, Z. A. Jahangirli, S. S. Osmanova, N. A. Abdullayev, “Elastic Properties and Regularities in Frequencies of Optical Phonons of AIIBIII2CVI4 Compounds”, Phys. Solid State, 66:11 (2024), 529
Z. A. Jahangirli, R. G. Veliyev, I. A. Mamedova, Z. I. Badalova, D. A. Mamedov, N. T. Mamedov, N. A. Abdullaev, “Ab initio and experimental study of vibrational properties of TlFeS2 and TlFeSe2 crystals”, Phys. Solid State, 63:11 (2021), 1643–1649
Z. A. Jahangirli, T. G. Kerimova, I. A. Mamedova, S. A. Nabiyeva, N. A. Abdullaev, “Ab initio and experimental study of electronic, optical, and vibrational properties of CdGa2Te4”, Phys. Solid State, 62:8 (2020), 1426–1433