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

Abstract Investigation of band structure and the thermo-physical response of the d0 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 - 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 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.

Bibliographic Details

Main Authors:	Taleb,A., Chahed,A., Boukli,M., Rozale,H., Amrani,B., Rahmoune,M., Sayede,A.
Format:	Digital revista
Language:	English
Published:	Sociedad Mexicana de Física 2020
Online Access:	http://www.scielo.org.mx/scielo.php?script=sci_arttext&pid=S0035-001X2020000300265
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