Structural, magneto-electronic and thermophysical properties of the new d(0) quaternary heusler compounds ksrcz (z =p, as, sb) - Université de Lille
Article Dans Une Revue Revista Mexicana de Fisica Année : 2020

Structural, magneto-electronic and thermophysical properties of the new d(0) quaternary heusler compounds ksrcz (z =p, as, sb)

A. Taleb
  • Fonction : Auteur
A. Chahed
  • Fonction : Auteur
M. A. Boukli
  • Fonction : Auteur
H. Rozale
  • Fonction : Auteur
B. Amrani
  • Fonction : Auteur
M. Rahmoune
  • Fonction : Auteur

Résumé

Investigation of band structure and thermo-physical response of the d0 new quaternary Heusler compounds KSrCZ (Z = P, As, Sb) within the frame work of density functional theory with full potential linearized augmented plane wave method has been analyzed. Results showed that type-Y3 is the most favorable atomic arrangement. All the compounds are found to be half-metallic ferromagnetic materials with an integer magnetic moment of 2.00 μB and a half-metallic gap EHM of 0.292, 0.234, and 0.351 eV, respectively. The half-metallicity of KSrCZ (Z = P, As, Sb) compounds can be kept in a quite large hydrostatic strain. Thermoelectric properties of the KSrCZ (Z = P, As, Sb) materials are additionally computed over an extensive variety of temperature and it is discovered that all compounds demonstrates higher figure of merit. The properties of half-metallicity and higher Seebeck coefficient makes these materials a promising candidates for thermoelectric and spintronic device applications.

Dates et versions

hal-04442568 , version 1 (06-02-2024)

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Citer

A. Taleb, A. Chahed, M. A. Boukli, H. Rozale, B. Amrani, et al.. Structural, magneto-electronic and thermophysical properties of the new d(0) quaternary heusler compounds ksrcz (z =p, as, sb). Revista Mexicana de Fisica, 2020, Revista Mexicana de Fisica, 66, pp.265-272. ⟨10.31349/RevMexFis.66.265⟩. ⟨hal-04442568⟩
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