Elastic Properties and Acoustic Waves in TlFeS2 and TlFeSe2 Crystals
Abstract The values of thirteen elastic constants C11, C12, C13, C15, C22, C23, C25, C33, C44, C46, C35, C55, and C66 for compounds TlFeS2 and TlFeSe2 have been calculated from first principles, and the bulk moduli of elasticity, shear and Young moduli, and Poisson’s ratios have been determined. The values of the Debye temperature and Grüneisen parameters of crystals TlFeS2 and TlFeSe2 have been estimated. Propagation velocities of longitudinal and transverse acoustic waves in TlFeS2 crystals and TlFeSe2 in different crystallographic directions, as well as temperature dependences of thermodynamic functions: free energy, phonon part of internal energy, entropy, heat capacity, and thermal conductivity, have been calculated from first principles.
Authors
- С. С. Османова (ORCID: https://orcid.org/0000-0002-5620-5254)
- Z. A. Jahangirli (ORCID: https://orcid.org/0000-0001-5915-1143)
- Nadir A. Abdullayev (ORCID: https://orcid.org/0000-0002-0276-5985)
- R. A. Hasanova
- Z. I. Badalova (ORCID: https://orcid.org/0009-0000-2760-2480)
- I. Q. Qasimoglu
- С. С. Рагимов (ORCID: https://orcid.org/0000-0002-6122-4206)
- Irada A. Mamedova (ORCID: https://orcid.org/0009-0005-2863-152X)
- A. M. Kerimova
- Aliguliyeva Kh. (ORCID: https://orcid.org/0000-0003-4428-1062)
- S. Sh. Gahramanov (ORCID: https://orcid.org/0000-0003-0602-2676)
Institutions
- Azerbaijan State Oil and Industry University (AZ)
- Baku State University (AZ)
- Azerbaijan Technical University (AZ)
- Ministry of Science and Education Republic of Azerbaijan (AZ)
Publication Details
- Journal
- Physics of the Solid State
- Published
- 2026-09-01
- DOI
- https://doi.org/10.1134/s1063783426601931
- Primary Topic
- Solid-state spectroscopy and crystallography
- Type
- article
- Field-Weighted Citation Impact
- 0.00