DEBYE TEMPERATURE OF TlInSe2 UNDER PRESSURE FROM FIRST-PRINCIPLES

Orudjev G., Ismayilova N.

Advanced Physical Research, vol.2, no.1, pp.43-47, 2020 (Scopus) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 2 Say: 1
  • Nəşr tarixi: 2020
  • jurnalın adı: Advanced Physical Research
  • Jurnalın baxıldığı indekslər: Scopus
  • Səhifə sayı: pp.43-47
  • Açar sözlər: acoustic wave velocity, Debye temperature, First principle, local-density approximation
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Yox

Qısa məlumat

The effects of pressure on the Debye temperature of TlInSe2 were investigated by the local-density approximation (LDA) with a Perdew-Zunger exchange-correlation function using density-functional theory. And results indicate that pressure can improve the hardness of TlInSe2 compound. The calculated Debye temperature 81 K at 0 GPa for this crystal is shown to be in excellent agreement with the available known values at 0 GPa pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure. Acoustic wave velocity under different pressures were also successfully estimated from the calculations and determined that acoustic wave velocity goes up with the increasing pressure.