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



Título del documento: Structural, magneto-electronic and thermophysical properties of the new d0 quaternary heusler compounds KSrCZ (Z =P, As, Sb)
Revue: Revista mexicana de física
Base de datos: PERIÓDICA
Número de sistema: 000439116
ISSN: 0035-001X
Autores: 1
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Instituciones: 1Universite de Sidi Bel Abbes, Condensed Matter and Sustainable Development Laboratory, Sidi Bel-Abbes. Argelia
2Universite d'Artois, Faculte des Sciences Jean Perrin, Arras. Francia
Año:
Periodo: May-Jun
Volumen: 66
Número: 3
País: México
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico, teórico
Resumen en inglés 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
Disciplinas: Física y astronomía
Palabras clave: Física de materia condensada,
Compuestos de Heusler cuaternarios,
Estructuras electrónicas,
Propiedades magnéticas,
Propiedades termoeléctricas
Keyword: Condensed matter physics,
Quaternary Heusler compounds,
Electronic structures,
Magnetic properties,
Thermoelectric properties
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