Work

Elastic Properties and Acoustic Waves in TlFeS2 and TlFeSe2 Crystals

Year: 2026

Type: article

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.

Source: Physics of the Solid State

DOI: 10.1134/s1063783426601931

Authors: N. A. Abdullayev, Z. I. Badalova, Z. A. Jahangirli, R. A. Hasanova, S. S. Osmanova, Kh. V. Aliguliyeva, Yu. A. Abdullayev, S. Sh. Gahramanov, I. Q. Qasimoglu, S. S. Ragimov, A. M. Kerimova

Institutions: Baku State University, Institute of Physics, Fizika İnstitutu Publik Hüquqi Şəxs, Azerbaijan Technical University, Azerbaijan State Oil and Industry University

Language: English

Topic: Crystal Structures and Properties

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W7204890922

FWCI: 0.993

Cites: 40

Cited by: 1

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