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)

Abstract

Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys Cu2MnSn1−xInx (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 Cu2MnSn1−xInx 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 Cu2MnSn1−xInx have been calculated. Also, the electronic properties including density of states and band structures indicate the metallic character for Cu2MnSn1−xInx. Morever, this quaternary Heusler alloy is found to be ferromagnetic, brittle and anisotropic in nature.