Open AccessElectronic and magnetic properties of Ni2MnGa: Monte-Carlo and ab-initio calculations
Author(s) -
A. Boughlala,
N. Benzakour,
A. Hourmatallah,
S. Bouhou,
S. Salmi,
K. Bouslykhane
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1292/1/012018
Subject(s) - condensed matter physics , monte carlo method , ferromagnetism , magnetic moment , ising model , density functional theory , magnetization , ab initio , materials science , ab initio quantum chemistry methods , local density approximation , density of states , electronic structure , statistical physics , physics , magnetic field , quantum mechanics , mathematics , molecule , statistics
This paper describes computational calculations based on the density functional theory (DFT), in order to investigate the electronic and magnetic properties of Ni 2 MnGa alloys. The local density approximation (LDA) and generalized gradient approximation (GGA) methods were used, which are implemented in the MACHIKANEYAMA package designed and made by Akai [1]. As result, we found that the alloys possess a ferromagnetic behaviour with magnetic moment of 4,07μ B /cell. The analysis of the density of states (DOS) shows that the alloys have a half-metallic behaviour due to the Mn-d and Ni-d states crossing the Fermi level. Moreover, the Monte-Carlo simulation method in the framework of the Ising model gives the magnetization and the susceptibility values, respectively.