THE SIMULATION OF PHONON SPECTRA IN THREE-COMPONENT TWO-DIMENSIONAL CRYSTALS OF TRANSITION METALS DICHALCOGENIDES
Abstract
We developed a feasible model for the ab initio calculation of the phonon properties of three-component solid solutions of transition metal dichalcogenides. This model is based on the assumption of equal displacement of same-type chalcogen atoms and decoupled displacement of metal atoms. The results of phonon frequency calculation for monomolecular layers MoS2-xSex and MoS2-xTex at the Г-point are in conformity with the existing experiment data of Raman spectroscopy.
About the Authors
A. Yu. Alexeev
Belarusian State University of Informatics and Radioelectronics
Russian Federation
Russian Federation
A. V. Krivosheeva
Belarusian State University of Informatics and Radioelectronics
Russian Federation
Russian Federation
V. L. Shaposhnikov
Belarusian State University of Informatics and Radioelectronics
Russian Federation
Russian Federation
V. E. Borisenko
Belarusian State University of Informatics and Radioelectronics
Russian Federation
Russian Federation
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Review
For citations:
Alexeev A.Yu., Krivosheeva A.V., Shaposhnikov V.L., Borisenko V.E. THE SIMULATION OF PHONON SPECTRA IN THREE-COMPONENT TWO-DIMENSIONAL CRYSTALS OF TRANSITION METALS DICHALCOGENIDES. Zhurnal Prikladnoii Spektroskopii. 2017;84(4):554-560. (In Russ.)
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