Structural, magneto-electronic and thermophysical properties of the new d^(0) quaternary heusler compounds KSrCZ (Z =P, As, Sb)
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A. Taleb [2] ; A. Chahed [2] ; M. Boukli [2] ; H. Rozale [2] ; B. Amrani [2] ; M. Rahmoune [2] ; A. Sayede [1]
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[1] Artois University
Artois University
Arrondissement d’Arras, Francia
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[2] University of Sidi Bel-Abbes, Algeria
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- Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 66, Nº. 3, 2020, págs. 265-272
- Idioma: inglés
- Enlaces
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Resumen
Investigation of band structure and the thermo-physical response of the d^(0) new quaternary Heusler compounds KSrCZ (Z = P, As, Sb) within the framework of density functional theory with full-potential linearized augmented plane wave method has been analyzed. Results showed that type − Y 3 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 E_(HM) 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 temperatures, and it is discovered that all compounds demonstrate a higher figure of merit. The properties of half-metallicity and higher Seebeck coefficient make these materials a promising candidates for thermoelectric and spintronic device applications.
