Comparative Study of Structural, Electronic, Magnetic and Thermodynamic Properties of TbInZ2 (Z = Cu, Ag, and Au)

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Structural, electronic, magnetic and thermodynamic properties of TbInZ2 (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 TbInZ2 (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.

Original languageEnglish
Pages (from-to)210-217
Number of pages8
JournalActa Physica Polonica A
Volume141
Issue number3
DOIs
Publication statusPublished - Mar 2022

Bibliographical note

Publisher Copyright:
© 2022 Polish Academy of Sciences. All rights reserved.

Keywords

  • Debye temperature
  • electrical conductivity
  • magnetic susceptibility
  • Wien2k

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