Comparative Study of Structural, Electronic, Magnetic and Thermodynamic Properties of TbInZ(2) (Z = Cu, Ag, and Au)


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Touia A., Benyahia K., Messaoudi I. S. , Tekin A.

ACTA PHYSICA POLONICA A, vol.141, no.3, pp.210-217, 2022 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 141 Issue: 3
  • Publication Date: 2022
  • Doi Number: 10.12693/aphyspola.141.210
  • Title of Journal : ACTA PHYSICA POLONICA A
  • Page Numbers: pp.210-217
  • Keywords: magnetic susceptibility, electrical conductivity, Wien2k, Debye temperature, GENERALIZED GRADIENT APPROXIMATION, HEUSLER ALLOYS, SOLIDS

Abstract

Structural, electronic, magnetic and thermodynamic properties of TbInZ(2) (Z = Cu, Ag, and Au) materials with two types of Heusler regular and inverse structures have been investigated in the framework of density functional theory. The non-magnetic, ferromagnetic and antiferromagnetic states are presented using first principles calculations. We applied the full potential linearized augmented plane waves method implemented in the Wien2k code, and the generalized gradient approximation was used to describe the exchange-correlation potential. The results obtained for the density of states and band structures reveal the metallic character of the studied compounds. The structural properties show that the most stable state for TbInZ(2) (Z = Cu, Ag, and Au) compounds is the ferromagnetic state. The magnetic susceptibility and electrical Conductivity as a function of chemical potential are calculated using Perdew-Burke-Ernzerhof generalized gradient approximation. Furthermore, the variations of the lattice parameter, heat capacity, Debye temperature and entropy as a function of temperature have been investigated.