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Experimental and theoretical study of Raman scattering spectra of ternary chalcogenides Tl 4 HgI 6 , Tl 4 HgBr 6 , and TlHgCl 3
Author(s) -
Yukhymchuk Volodymyr O.,
Dzhagan Volodymyr M.,
Mazur Nazar V.,
Parasyuk Oleg V.,
Khyzhun Oleg Y.,
Luzhnyi Ivan V.,
Yaremko Anatoliy M.,
Valakh Mykhailo Ya.,
Litvinchuk Alexander P.
Publication year - 2018
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.5468
Subject(s) - raman spectroscopy , raman scattering , ternary operation , phonon , lattice (music) , space group , crystal structure , scattering , spectral line , condensed matter physics , crystallography , materials science , molecular physics , chemistry , physics , x ray crystallography , optics , diffraction , quantum mechanics , computer science , acoustics , programming language
The results of a comprehensive experimental and theoretical study of Raman scattering of Tl 4 HgI 6 , Tl 4 HgBr 6 , and TlHgCl 3 ternary chalcogenides are presented. Phonon mode assignment to the specific lattice eigenmodes is achieved via comparison of experimental data with the results of first principle lattice dynamics calculations. Both experimental data and theoretical calculations allow to confirm that Tl 4 HgBr 6 crystals belong to the non‐centrosymmetric space group P 4nc , whereas Tl 4 HgI 6 to the centrosymmetric space group P 4/mnc .