Geodesic
Magnetocrystalline anisotropy calculation of Fe-Ga alloys by the magnetic torque method
Čelâbinskij fiziko-matematičeskij žurnal, Tome 5 (2020) no. 2, pp. 174-185.

Voir la notice de l'article provenant de la source Math-Net.Ru

The magnetic properties of body-centered cubic structures of Fe$_{100-x}$Ga$_x$ were investigated using the density functional theory. The dependence of the magnetocrystalline anisotropy (MCA) energy as a function of the tetragonal distortions was obtained by the help of the magnetic torque method implemented in the SPR-KKR software package. The dependence of MCA energy on the strain is linear and has a positive slope for a disordered A2 phase and a partially ordered B2 one. For ordered D0$_3$ structure, this dependence demonstrates a complex nonlinear behavior. The B2 phase makes the main contribution to tetragonal magnetostriction in the region of concentrations $21 \leq x \leq 25$ at.%. The shear modulus obtained using the SPR-KKR software package decreases with increasing Ga concentration.
Keywords: magnetic torque method, magnetocrystalline anisotropy energy, magnetostriction, shear modulus. 
@article{CHFMJ_2020_5_2_a8,
     author = {M. V. Matyunina and M. A. Zagrebin and V. V. Sokolovskiy and V. D. Buchel'nikov},
     title = {Magnetocrystalline anisotropy calculation of {Fe-Ga} alloys by the magnetic torque method},
     journal = {\v{C}el\^abinskij fiziko-matemati\v{c}eskij \v{z}urnal},
     pages = {174--185},
     publisher = {mathdoc},
     volume = {5},
     number = {2},
     year = {2020},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_2_a8/}
}
TY  - JOUR
AU  - M. V. Matyunina
AU  - M. A. Zagrebin
AU  - V. V. Sokolovskiy
AU  - V. D. Buchel'nikov
TI  - Magnetocrystalline anisotropy calculation of Fe-Ga alloys by the magnetic torque method
JO  - Čelâbinskij fiziko-matematičeskij žurnal
PY  - 2020
SP  - 174
EP  - 185
VL  - 5
IS  - 2
PB  - mathdoc
UR  - http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_2_a8/
LA  - ru
ID  - CHFMJ_2020_5_2_a8
ER  - 
%0 Journal Article
%A M. V. Matyunina
%A M. A. Zagrebin
%A V. V. Sokolovskiy
%A V. D. Buchel'nikov
%T Magnetocrystalline anisotropy calculation of Fe-Ga alloys by the magnetic torque method
%J Čelâbinskij fiziko-matematičeskij žurnal
%D 2020
%P 174-185
%V 5
%N 2
%I mathdoc
%U http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_2_a8/
%G ru
%F CHFMJ_2020_5_2_a8
M. V. Matyunina; M. A. Zagrebin; V. V. Sokolovskiy; V. D. Buchel'nikov. Magnetocrystalline anisotropy calculation of Fe-Ga alloys by the magnetic torque method. Čelâbinskij fiziko-matematičeskij žurnal, Tome 5 (2020) no. 2, pp. 174-185. http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_2_a8/

[1] X. Wang, R. Wu, D-s. Wang, A. J. Freeman, “Torque method for the theoretical determination of magnetocrystalline anisotropy”, Physical Review B., 54 (1996), 61–64 | MR

[2] R. Wu, “Origin of large magnetostriction in Fe-Ga alloys”, Journal of Applied Physics, 91:10 (2002), 7358–7360

[3] Y. N. Zhang, R. Q. Wu, “Large magnetostriction in Fe-based alloys predicted by density functional theory”, Physical Review B., 82 (2010), 224415

[4] Y. Zhang, R. Wu, “Mechanism of large magnetostriction of Galfenol”, IEEE Transactions on Magnetics, 47:10 (2011), 4044–4049

[5] A. E. Clark, K. B. Hathaway, M. Wun-Fogle, J. B. Restorff, T. A. Lograsso, V. M. Keppens, G. Petculescu, R. A. Taylor, “Extraordinary magnetoelasticity and lattice softening in bcc Fe-Ga alloys”, Journal of Applied Physics, 93:10 (2003), 8621

[6] I. S. Golovin, A. M. Balagurov, I. A. Bobrikov, V. V. Palacheva, J. Cifre, “Phase transition induced anelasticity in Fe-Ga alloys with 25 and 27% Ga”, Journal of Alloys and Compounds, 675 (2016), 393–398

[7] I. S. Golovin, A. M. Balagurov, W. C. Cheng, J. Cifre, D. A. Burdin, I. A. Bobrikov, V. V. Palacheva, N. Yu. Samoylova, E. N. Zanaeva, “In situ studies of atomic ordering in Fe-19Ga type alloys”, Intermetallics, 105 (2019), 6–12

[8] H. Wang, Y. N. Zhang, T. Yang, Z. D. Zhang, L. Z. Sun, R. Q. Wu, “Ab initio studies of the effect of nanoclusters on magnetostriction of Fe$_{1-x}$Ga$_x$ alloys”, Applied Physics Letters, 97:26 (2010), 262505

[9] G. Kresse, J. Hafner, “Ab-Initio Molecular-Dynamics Simulation of the Liquid-Metal Amorphous-Semiconductor Transition in Germanium”, Physical Review B., 49 (1994), 14251–14269

[10] M. Matyunina, M. Zagrebin, V. Sokolovskiy, V. Buchelnikov, “Magnetostriction of Fe$_{100-x}$Ga$_x$ alloys from first principles calculations”, Journal of Magnetism and Magnetic Materials, 476 (2019), 120–123

[11] H. Wang, Y. N. Zhang, R. Q. Wu, L. Z. Sun, D. S. Xu, Z. D. Zhang, “Understanding strong magnetostriction in Fe$_{100-x}$Ga$_x$ alloys”, Scientific Reports, 3 (2013), 3521

[12] H. Ebert, D. Ködderitzsch, J. Minár, “Calculating condensed matter properties using the KKR — Green’s function method — recent developments and applications”, Reports on Progress in Physics, 74:9 (2011), 096501

[13] J. P. Perdew, K. Burke, M. Ernzerhof, “Generalized gradient approximation made simple”, Physical Review Letters, 77 (1996), 3865–3868

[14] O. Kubaschewski, Iron-Binary Phase Diagrams, Springer-Verlag, Berlin, 1982, 185 pp.

[15] O. Ikeda, R. Kainuma, I. Ohinuma, “Phase equilibria and stability of ordered b.c.c. phases in the Fe-rich portion of the Fe–Ga system”, Journal of Alloys and Compounds, 347 (2002), 198–205

[16] N. Kawamiya, K. Adachi, Y. Nakamura, “Magnetic properties and Mössbauer investigations of Fe-Ga alloys”, Journal of the Physical Society of Japan, 33:5 (1972), 1318–1327

[17] J. B. Restorff, M. Wun-Fogle, K. B. Hathaway, A. E. Clark, T. A. Lograsso, G. Petculescu, “Tetragonal magnetostriction and magnetoelastic coupling in Fe-Al, Fe-Ga, Fe-Ge, Fe-Si, Fe-Ga-Al, and Fe-Ga-Ge alloys”, Journal of Applied Physics, 111 (2012), 023905

[18] M. V. Matyunina, M. A. Zagrebin, V. V. Sokolovskiy, O. O. Pavlukhina, V. D. Buchelnikov, A. M. Balagurov, I. S. Golovin, “Phase diagram of magnetostrictive Fe-Ga alloys: insights from theory and experiment”, Phase Transitions, 92:2 (2019), 101–116

[19] Matyunina M.V., Zagrebin M.A., Sokolovskiy V.V., Buchelnikov V.D., “Investigations of properties of Fe-Ga alloys from ab initio calculations”, Chelyabinsk Physical and Mathematical Journal, 2:2 (2017), 231–240 (In Russ.)

[20] A. M. Balagurov, I. A. Bobrikov, S. V. Sumnikov, I. S. Golovin, “Cluster-like structure of Fe-based alloys with enhanced magnetostriction”, In press, Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques, 2020