Structural, elastic, electronic and magnetic properties of quaternary Heusler alloy Cu2MnSi1−xAlx (x = 0 − 1): First-principles study



Título del documento: Structural, elastic, electronic and magnetic properties of quaternary Heusler alloy Cu2MnSi1−xAlx (x = 0 − 1): First-principles study
Revista: Revista mexicana de física
Base de datos: PERIÓDICA
Número de sistema: 000426074
ISSN: 0035-001X
Autors: 1
3
4
1
Institucions: 1Universite Djillali Liabes, Faculty of Exact Sciences, Sidi Bel Abbes. Argelia
2Universite Hassiba Ben Bouali de Chlef, Faculty of Technology, Chlef. Argelia
3Universite Djillali Liabes, Physics Department, Sidi Bel Abbes. Argelia
4Universite Djillali Liabes, Sidi Bel Abbes. Argelia
5Universite Hassiba Ben Bouali de Chlef, Faculty of Informatics, Chlef. Argelia
Any:
Període: Mar-Abr
Volum: 64
Número: 2
País: México
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico, teórico
Resumen en inglés We investigate the structural, elastic, electronic and magnetic properties of the Heusler compounds Cu2 MnSi, Cu2 MnAl and Cu2 MnSi1−x Alx quaternary alloys, using the full-potential linear-augmented plane-wave method (FP-LAPW) in the framework of the density functional theory (DFT) using the generalized gradient approximation of Perdew-Burke-Ernzerhof (GGA-PBE). Our results provide predictions for the quaternary alloy Cu2MnSi1−xAlx (x = 0.125, 0.25, 0.375, 0.5) in which no experimental or theoretical data are currently available. We calculate the ground state’s properties of Cu2MnSi1−xAlx alloys for both nonmagnetic and ferromagnetic configurations, which lead to ferromagnetic and metallic compounds. Also, the calculations of the elastic constants and the elastic moduli parameters show that these quaternary Heusler alloys are ductile and anisotropic
Disciplines Física y astronomía
Paraules clau: Física,
Estructura electrónica,
Propiedades elásticas,
Cálculos ab-initio,
Aleaciones cuaternarias de Heusler
Keyword: Physics,
Electronic structure,
Elastic properties,
Ab-initio calculations,
Quaternary Heusler alloys
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