The Influence of Exchange Correlation Effects on the Stabilization
of the Half-Metallic Properties of Mn2VAl and Mn2VSi Alloys

V. D. Buchelnikov; Бучельников В. Д.; D. R. Baigutlin; Байгутлин Д. Р.; V. V. Sokolovskiy; Соколовский В. В.; O. N. Miroshkina; Мирошкина О. Н.

doi:10.31857/S0015323022601301

The Influence of Exchange Correlation Effects on the Stabilization of the Half-Metallic Properties of Mn2VAl and Mn2VSi Alloys

Authors: Buchelnikov V.D.¹, Baigutlin D.R.¹, Sokolovskiy V.V.¹, Miroshkina O.N.²
Affiliations:
1. Chelyabinsk State University
2. University of Duisburg-Essen
Issue: Vol 124, No 2 (2023)
Pages: 126-133
Section: ЭЛЕКТРИЧЕСКИЕ И МАГНИТНЫЕ СВОЙСТВА
URL: https://journals.rcsi.science/0015-3230/article/view/139388
DOI: https://doi.org/10.31857/S0015323022601301
EDN: https://elibrary.ru/HKPCLY
ID: 139388

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Abstract
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Abstract

Theoretical studies of the role of exchange correlation effects in the prediction of the half-metallic properties of ferrimagnetic Mn2VAl and Mn2VSi Heusler alloys, which are of interest in spintronics, are pre-sented. Electronic, magnetic, and structural properties are studied within the framework of density functional theory. It is shown that the correction for additional correlation effects makes it possible to reveal two states, which are close to each other in energy, but have different magnetic moments. The state with a low magneti-zation demonstrates a half-metallic character with 100% spin polarization, whereas the state with a high mag-netization has a metallic character.

Keywords

first-principles calculations, half-metallic ferrimagnetic, exchange correlation functional, GGA, meta-GGA

References

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