Effect of Ga Partial Substitution on the Structural and Magnetic Properties of Heusler Ni–Mn–Ga Alloys

V. V. Sokolovskiy; Соколовский В. В.; V. D. Buchelnikov; Бучельников В. Д.

doi:10.31857/S0015323023601150

Effect of Ga Partial Substitution on the Structural and Magnetic Properties of Heusler Ni–Mn–Ga Alloys

Authors: Sokolovskiy V.V.¹^,2, Buchelnikov V.D.¹
Affiliations:
1. Chelyabinsk State University
2. MISiS National University of Science and Technology
Issue: Vol 124, No 11 (2023)
Pages: 1108-1116
Section: ЭЛЕКТРИЧЕСКИЕ И МАГНИТНЫЕ СВОЙСТВА
URL: https://ruspoj.com/0015-3230/article/view/663055
DOI: https://doi.org/10.31857/S0015323023601150
EDN: https://elibrary.ru/YGXJEU
ID: 663055

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Abstract

Abstract—

The effect of doping with Cu and Zn atoms on the magnetic and structural properties of the cubic and tetragonal phase of the Heusler Ni₂Mn_1.125Ga_0.875 alloy has been investigated in the framework of density functional theory. Partial substitution of Ga atoms by Cu and Zn atoms leads to a decrease in the energy difference between the ferromagnetic and ferrimagnetic states of the cubic phase and an increase in the energy barrier between the cubic and tetragonal phase. The latter observation indirectly points to the increase in the structural transition temperature observed experimentally. Within the framework of calculations of exchange interaction parameters from first principles and Monte Carlo modeling of temperature dependences of magnetization, a phase T–x diagram is constructed. It is shown that the Curie temperature of the tetragonal phase decreases significantly compared to the Curie temperature of the cubic phase with increasing Cu and Zn content due to an increase in the inter-sublattice antiferromagnetic interaction between Mn atoms.

Keywords

Heusler alloys, ab initio calculations, Monte Carlo simulation

About the authors

V. V. Sokolovskiy

Chelyabinsk State University; MISiS National University of Science and Technology

Author for correspondence.
Email: vsokolovsky84@mail.ru
Russia, 454001, Chelyabinsk; Russia, 119049, Moscow

V. D. Buchelnikov

Chelyabinsk State University

Email: vsokolovsky84@mail.ru
Russia, 454001, Chelyabinsk

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