Electronic and magnetic properties of Co2FeSi: ab-initio calculations, mean-field approximation and Monte Carlo simulation

被引：0

作者：

Amellah, S. ^{[1
]}

Zaari, H. ^{[1
]}

Bouhani, H. ^{[2
]}

Elyahyaoui, F. ^{[1
]}

Benyoussef, A. ^{[3
]}

El Kenz, A. ^{[1
]}

机构：

[1] Mohammed V Univ, Fac Sci, Lab Condensed Matter & Interdisciplinary Sci, B P 1014, Rabat, Morocco

[2] Ctr Rech Syst Complexes & Interact, Cent Casablanca, Bouskoura 27182, Morocco

[3] Hassan II Acad Sci & Technol, Rabat 10000, Morocco

来源：

BULLETIN OF MATERIALS SCIENCE | 2023年 / 46卷 / 03期

关键词：

Magnetic properties; electronic structure; spintronic; density functional theory; mean-field approximation; Monte Carlo simulation; GGA PLUS U;

D O I：

10.1007/s12034-023-02973-9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Co2FeSi Heusler alloys have attracted a lot of attention due to their interesting properties for various technological applications. In this study, we present the results of ab-initio calculations of the electronic, structural and magnetic properties using generalized gradient approximations (GGA and GGA + U). The energies obtained from GGA are used to calculate the magnetic coupling and establish an effective Hamiltonian. Additionally, we utilized mean-field theory and Monte Carlo simulation to evaluate physical properties such as magnetization, susceptibility and critical exponent of the material from the effective Hamiltonian. The results indicate that Co2FeSi, which exhibits a half-metallic behaviour, may be suitable for use in spintronic applications.

引用

页数：8

共 26 条

[1] Rational design of new materials for spintronics:: Co2FeZ (Z = Al, Ga, Si, Ge) [J].