Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika"
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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2020, Volume 12, Issue 2, Pages 57–62
DOI: https://doi.org/10.14529/mmph200207
(Mi vyurm449)
 

Physics

Volume magnetostriction of $\mathrm{Fe}$-$\mathrm{Ga}$ alloys: calculation from first principles

M. V. Matyuninaa, V. D. Buchelnikovba, M. A. Zagrebinac, V. V. Sokolovskiyba

a Chelyabinsk State University, Chelyabinsk, Russian Federation
b National University of Science and Technology "MISiS", Moscow, Russian Federation
c South Ural State University, Chelyabinsk, Russian Federation
References:
Abstract: In this paper, with the help of the density functional theory, the magnetic and magnetoelastic properties of the crystal structures $\mathrm{A2}$ and $\mathrm{D}0_3$ of $\mathrm{Fe}_{100-x}\mathrm{Ga}_{x}$ alloys ($x = 18{-}22$ at.$\%$) have been studied. The calculations were performed using the SPR-KKR software package. The exchange integrals, the values of the volume magnetoelastic constant $\mathrm{B}_0$, and the volume magnetostriction $\Delta V/V$ have been calculated. The obtained dependence of the exchange interaction constants on the crystal lattice parameter is a decreasing function for both $\mathrm{A2}$ and $\mathrm{D}0_3$ structures. It has been shown that the ferromagnetic interaction between iron atoms in the first coordination sphere increases with increasing $\mathrm{Ga}$ concentration in the fully disordered $\mathrm{A2}$ phase, while this interaction weakens in the ordered crystal structure $\mathrm{D}0_3$. The obtained values of $\Delta V/V$ for various compositions of $\mathrm{Fe}_{100-x}\mathrm{Ga}_{x}$ alloys are negative. It is shown that an increase in the $\mathrm{Ga}$ content leads to an increase in volume magnetostriction for the $\mathrm{A2}$ structure and a decrease in $\Delta V/V$ for the $\mathrm{D}0_3$ phase. The character of the volume magnetostriction dependence on the concentration of Ga for structure $\mathrm{A2}$ is consistent with the experimental data and with the results obtained for compounds based on $\mathrm{Ni}$.
Keywords: Fe-Ga, exchange interaction, volume magnetostriction, first principles calculations.
Funding agency Grant number
Russian Science Foundation 17-72-20022
Received: 16.03.2020
Document Type: Article
UDC: 537.634.2
Language: Russian
Citation: M. V. Matyunina, V. D. Buchelnikov, M. A. Zagrebin, V. V. Sokolovskiy, “Volume magnetostriction of $\mathrm{Fe}$-$\mathrm{Ga}$ alloys: calculation from first principles”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 12:2 (2020), 57–62
Citation in format AMSBIB
\Bibitem{MatBucZag20}
\by M.~V.~Matyunina, V.~D.~Buchelnikov, M.~A.~Zagrebin, V.~V.~Sokolovskiy
\paper Volume magnetostriction of $\mathrm{Fe}$-$\mathrm{Ga}$ alloys: calculation from first principles
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2020
\vol 12
\issue 2
\pages 57--62
\mathnet{http://mi.mathnet.ru/vyurm449}
\crossref{https://doi.org/10.14529/mmph200207}
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