Abstract

BENICHOU, B.; BOUCHENAFA, H.; NABI, Z.  and  BOUABDALLAH, B.. 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). Rev. mex. fis. [online]. 2019, vol.65, n.5, pp.468-474.  Epub Apr 23, 2020. ISSN 0035-001X.  https://doi.org/10.31349/revmexfis.65.468.

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.

Keywords : Ab-initio calculations; quaternary Heusler alloys; electronic structure; elastic and magnetic properties; ferromagnetic; 63.20.Dj; 71.15.Mb; 62.50.+p.

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