Electronic properties of the Mn 3 Z (Z = Ga, Ge) alloys: first-principles studies

M. A. Obambi; Обамби М. А.; M. A. Zagrebin; Загребин М. А.; V. D. Buchelnikov; Бучельников В. Д.

doi:10.31857/S0367676522700855

Electronic properties of the Mn₃Z (Z = Ga, Ge) alloys: first-principles studies

Authors: Obambi M.A.¹, Zagrebin M.A.¹, Buchelnikov V.D.¹
Affiliations:
1. Chelyabinsk State University
Issue: Vol 87, No 4 (2023)
Pages: 481-484
Section: Articles
URL: https://journals.rcsi.science/0367-6765/article/view/135348
DOI: https://doi.org/10.31857/S0367676522700855
EDN: https://elibrary.ru/NLHTRJ
ID: 135348

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Abstract

The structural and electronic properties of Mn₃Z alloys (Z = Ga, Ge) are studied ab initio. It is shown that in the cubic and tetragonal phases, the configuration with antiparallel orientation of magnetic moments of Mn atoms on different sublattices is energetically favorable. Calculations of the electronic densities of states show that the spin polarization of the tetragonal phase is about 60%. The results obtained are in good agreement with the experimental data.

About the authors

M. A. Obambi

Chelyabinsk State University

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

M. A. Zagrebin

Chelyabinsk State University

Author for correspondence.
Email: miczag@mail.ru
Russia, 454001, Chelyabinsk

V. D. Buchelnikov

Chelyabinsk State University

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

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