Magnetic anisotropy and stability of Fe3Ga compounds

The magnetic anisotropy energy and the stability of crystal modifications of D03 and L21 of Fe3Ga compounds are studied with the density functional theory methods. The magnetic anisotropy energy of the D03 structure is more than twice the same value for the L21 structure. The features in the electro...

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Main Authors: T. M. Inerbaev, A. U. Abuova, A. K. Dauletbekova, F. U. Abuova, G. A. Kaptagay, Zh. Zakieva, M. Eltizarova, A. Barakov
Format: Article
Language:English
Published: L.N. Gumilyov Eurasian National University 2021-12-01
Series:Eurasian Journal of Physics and Functional Materials
Subjects:
Online Access:https://www.ephys.kz/jour/article/view/177
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author T. M. Inerbaev
A. U. Abuova
A. K. Dauletbekova
F. U. Abuova
G. A. Kaptagay
Zh. Zakieva
M. Eltizarova
A. Barakov
author_facet T. M. Inerbaev
A. U. Abuova
A. K. Dauletbekova
F. U. Abuova
G. A. Kaptagay
Zh. Zakieva
M. Eltizarova
A. Barakov
author_sort T. M. Inerbaev
collection DOAJ
description The magnetic anisotropy energy and the stability of crystal modifications of D03 and L21 of Fe3Ga compounds are studied with the density functional theory methods. The magnetic anisotropy energy of the D03 structure is more than twice the same value for the L21 structure. The features in the electronic structure lead to the difference in the magnitude of spin-orbit interaction, explaining the found effect. The L21 structure is more thermodynamically stable in the entire range of the considered pressures. Under pressure, the considered crystal modifications of Fe3Ga lose their stability due to the appearance of imaginary frequencies in their phonon spectra.
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spelling doaj.art-a90b4abecb9c404dbac1b3b6fe0d01782022-12-22T00:04:58ZengL.N. Gumilyov Eurasian National UniversityEurasian Journal of Physics and Functional Materials2522-98692616-85372021-12-015422923510.32523/ejpfm.2021050407174Magnetic anisotropy and stability of Fe3Ga compoundsT. M. Inerbaev0A. U. Abuova1A. K. Dauletbekova2F. U. Abuova3G. A. Kaptagay4Zh. Zakieva5M. Eltizarova6A. Barakov7L.N. Gumilyov Eurasian National UniversityL.N. Gumilyov Eurasian National UniversityL.N. Gumilyov Eurasian National UniversityL.N. Gumilyov Eurasian National UniversityKazakh national women’s teacher training UniversityL.N. Gumilyov Eurasian National UniversityL.N. Gumilyov Eurasian National UniversityL.N. Gumilyov Eurasian National UniversityThe magnetic anisotropy energy and the stability of crystal modifications of D03 and L21 of Fe3Ga compounds are studied with the density functional theory methods. The magnetic anisotropy energy of the D03 structure is more than twice the same value for the L21 structure. The features in the electronic structure lead to the difference in the magnitude of spin-orbit interaction, explaining the found effect. The L21 structure is more thermodynamically stable in the entire range of the considered pressures. Under pressure, the considered crystal modifications of Fe3Ga lose their stability due to the appearance of imaginary frequencies in their phonon spectra.https://www.ephys.kz/jour/article/view/177magnetic anisotropyband structuremagnetostrictioncorrelationsphase mixture.
spellingShingle T. M. Inerbaev
A. U. Abuova
A. K. Dauletbekova
F. U. Abuova
G. A. Kaptagay
Zh. Zakieva
M. Eltizarova
A. Barakov
Magnetic anisotropy and stability of Fe3Ga compounds
Eurasian Journal of Physics and Functional Materials
magnetic anisotropy
band structure
magnetostriction
correlations
phase mixture.
title Magnetic anisotropy and stability of Fe3Ga compounds
title_full Magnetic anisotropy and stability of Fe3Ga compounds
title_fullStr Magnetic anisotropy and stability of Fe3Ga compounds
title_full_unstemmed Magnetic anisotropy and stability of Fe3Ga compounds
title_short Magnetic anisotropy and stability of Fe3Ga compounds
title_sort magnetic anisotropy and stability of fe3ga compounds
topic magnetic anisotropy
band structure
magnetostriction
correlations
phase mixture.
url https://www.ephys.kz/jour/article/view/177
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AT fuabuova magneticanisotropyandstabilityoffe3gacompounds
AT gakaptagay magneticanisotropyandstabilityoffe3gacompounds
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