Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn 1-x In x (x = 0, 0.25, 0.5, 0.75, 1)
Document title: Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn 1-x In x (x = 0, 0.25, 0.5, 0.75, 1)
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000438880
ISSN: 0035-001X
Authors: 1
2
3
3
Institutions: 1Hassiba Benbouali University, Faculty of Technology, Chlef. Argelia
2Hassiba Benbouali University, Faculty of Sciences Exact and Informatics, Chlef. Argelia
3Universite Djillali Liabes, Faculty of Sciences Exact, Sidi Bel Abbes. Argelia
Year:
Season: Sep-Oct
Volumen: 65
Number: 5
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, teórico
English abstract Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys Cu2MnSn 1-x In x (x = 0, 0.25, 0.5, 0.75, 1) are calculated using the full-potential linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) and implemented in WIEN2k code. The exchange-correlation potential is evaluated using the generalized gradient approximation (GGA) within the Perdew-Burke-Ernzerhof (PBE) parameterization. Our theoretically results provide predictions for the mixed Cu2MnSn 1-x In x in which no experimental and theoretical data are currently available. The lattice parameter and bulk modulus as well the elastic constants and their related elastic moduli for Cu2MnSn 1-x In x have been calculated. Also, the electronic properties including density of states and band structures indicate the metallic character for Cu2MnSn 1-x In x . Morever, this quaternary Heusler alloy is found to be ferromagnetic, brittle and anisotropic in nature
Disciplines: Física y astronomía
Keyword: Física de materia condensada,
Cálculos ab-initio,
Aleaciones cuaternarias de Heusler,
Estructura electrónica,
Propiedades elásticas,
Propiedades magnéticas,
Ferromagnetismo
Keyword: Condensed matter physics,
Ab-initio calculations,
Quaternary Heusler alloys,
Electronic structure,
Elastic properties,
Magnetic properties,
Ferromagnetism
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