Abstract:
The lattice vibrational properties of TlFeS2 and TlFeSe2 crystals have been studied experimentally using Raman scattering (RS) and infrared reflection (IR) light, as well as theoretically using density functional theory (DFT). The complete vibrational representation, based on the analysis of the factor site symmetry, contains 12 active Raman modes and 9 IR active modes. 6 RS active and 3 IR active modes of them for TlFeS2, and 4 RS active and 3 IR active modes for TlFeSe2 were experimentally detected and identified.
Keywords:
optical phonons, lattice dynamics, ab initio calculations, symmetry group, phonon spectra, phonon dispersion.
E ̇IF/MQM/Elm-Tеhsil-1-2016-1(26)-71/16/1 E ̇IF-BGM-3-BRFTF-2+/2017-15/02/1
This work was supported by the Science Development Fund of the President of the Republic of Azerbaijan (projects nos. EİF/MQM/Elm-Tehsil-1-2016-1(26)-71/16/1 and EİF-BGM-3-BRFTF-2+/2017-15/02/1).
Citation:
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”, Fizika Tverdogo Tela, 63:10 (2021), 1637–1643; Phys. Solid State, 63:11 (2021), 1643–1649
\Bibitem{JahVelMam21}
\by Z.~A.~Jahangirli, R.~G.~Veliyev, I.~A.~Mamedova, Z.~I.~Badalova, D.~A.~Mamedov, N.~T.~Mamedov, N.~A.~Abdullaev
\paper Ab initio and experimental study of vibrational properties of TlFeS$_{2}$ and TlFeSe$_{2}$ crystals
\jour Fizika Tverdogo Tela
\yr 2021
\vol 63
\issue 10
\pages 1637--1643
\mathnet{http://mi.mathnet.ru/ftt8001}
\crossref{https://doi.org/10.21883/FTT.2021.10.51416.099}
\elib{https://elibrary.ru/item.asp?id=46598583}
\transl
\jour Phys. Solid State
\yr 2021
\vol 63
\issue 11
\pages 1643--1649
\crossref{https://doi.org/10.1134/S1063783421100115}
Linking options:
https://www.mathnet.ru/eng/ftt8001
https://www.mathnet.ru/eng/ftt/v63/i10/p1637
This publication is cited in the following 1 articles:
Z. A. Jahangirli, R. G. Veliyev, Z. I. Badalova, R. G. Seyidov, E. H. Alizade, T. G. Mammadov, N. A. Abdullayev, “Electronic Properties of Magnetic Semiconductor Compounds TlFeS2 and TlFeSe2”, Phys. Wave Phen., 31:2 (2023), 84