Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn1-xInx (x = 0, 0.25, 0.5, 0.75, 1)

B. Benichou, H. Bouchenafa, Z. Nabi, and B. Bouabdallah

Abstract


Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys  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  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  have been calculated. Also, the electronic properties including density of states and band structures indicate the metallic character for . Morever, this quaternary Heusler alloy is found to be ferromagnetic, ductile and anisotropic in nature.


Keywords


ab-initio calculations; quaternary Heusler alloys; electronic structure; elastic and magnetic properties; ferromagnetic.

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DOI: https://doi.org/10.31349/RevMexFis.65.468

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Revista Mexicana de Física

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