Open AccessAb 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)
Author(s) -
Boucif Benichou,
H. Bouchenafa,
Z. Nabi,
Badra Bouabdallah
Publication year - 2019
Publication title -
revista mexicana de física/revista mexicana de física
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.181
H-Index - 25
eISSN - 2683-2224
pISSN - 0035-001X
DOI - 10.31349/revmexfis.65.468
Subject(s) - wien2k , materials science , condensed matter physics , density functional theory , lattice constant , bulk modulus , elastic modulus , ab initio , electronic structure , ferromagnetism , plane wave , heusler compound , electronic band structure , alloy , density of states , local density approximation , physics , diffraction , quantum mechanics , metallurgy , composite material
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.