Ab initio и экспериментальное исследование колебательных свойств кристаллов TlFeS-=SUB=-2-=/SUB=- и TlFeSe-=SUB=-2-=/SUB=-

З.А. Джахангирли, Р.Г. Велиев, И.А. Мамедова, З.И. Бадалова, Д.А. Мамедов, Н.Т. Мамедов, Н.А. Абдуллаев
2021 Physics of the Solid State  
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.
doi:10.21883/ftt.2021.10.51416.099 fatcat:tezd6k3vh5gm7ftqf2ausvkbyi