Magnetic anisotropy and stability of Fe3Ga compounds
Abstract
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.
About the Authors
T. M. Inerbaev
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
A. U. Abuova
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
A. K. Dauletbekova
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
F. U. Abuova
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
G. A. Kaptagay
Kazakh national women’s teacher training University
Kazakhstan
Kazakhstan
Almaty
Zh. Zakieva
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
M. Eltizarova
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Nur-Sultan
A. Barakov
L.N. Gumilyov Eurasian National University
Kazakhstan
Kazakhstan
Almaty
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Review
Supporting agencies: This work was carried out within the framework of the grant project AP08855879 "First principles design of effective magnetostriction materials for practical applications" for 2020-2022 of the Ministry of Education and Science of the Republic of Kazakhstan.
For citations:
Inerbaev T.M., Abuova A.U., Dauletbekova A.K., Abuova F.U., Kaptagay G.A., Zakieva Z., Eltizarova M., Barakov A. Magnetic anisotropy and stability of Fe3Ga compounds. Eurasian Journal of Physics and Functional Materials. 2021;5(4):229-235. https://doi.org/10.32523/ejpfm.2021050407
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