Structural, magneto-electronic and thermophysical properties of the new d0 quaternary heusler compounds KSrCZ (Z =P, As, Sb)

Autor:	A. Chahed, M.A.H. Boukli, M. Rahmoune, B. Amrani, H. Rozale, A. Sayade, A. Taleb
Rok vydání:	2020
Předmět:	Materials science Ferromagnetism Magnetic moment Condensed matter physics Spintronics Seebeck coefficient Thermoelectric effect General Physics and Astronomy Figure of merit Density functional theory Electronic band structure Education
Zdroj:	Revista Mexicana de Física. 66:265-272
ISSN:	2683-2224 0035-001X
DOI:	10.31349/revmexfis.66.265
Popis:	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.
Databáze:	OpenAIRE
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