Geodesic
Structural, magnetic and magnetocaloric properties of Fe-Ga alloys
Čelâbinskij fiziko-matematičeskij žurnal, Tome 5 (2020) no. 4, pp. 580-591.

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

Based on the first principle calculations, the magnetic and thermodynamic characteristics of the D03 and L12 crystal structures of Fe${}_{100-x}$Ga${}_x$ alloys (x = 25, 26.56, 28.125 at.%) were calculated by the Monte Carlo simulations. It is shown that the temperature dependences of the heat capacity contain peaks in the high-temperature region corresponding to the ferromagnet-paramagnet magnetic transition. The temperatures of the structural phase transition L1${}_2 \to$ D0${}_3$ are estimated by the intersection of the free energy curves. The Curie temperatures have been determined for the investigated structures under the temperature dependences of the magnetizations. In general, an addition of nonmagnetic Ga atoms shifts the Curie and structural phase transition temperatures to the low-temperature region. The largest direct magnetocaloric effect $\Delta $T${}_{ad.}$ = 1.55 K is predicted for the L1${}_2$ phase in the Fe${}_{75}$Ga$_{25}$ composition.
Keywords: heat capacity, magnetic and structural phase transitions, magnetocaloric properties, Monte Carlo method. 
@article{CHFMJ_2020_5_4_a6,
     author = {M. V. Matyunina and V. V. Sokolovskiy and M. A. Zagrebin and V. D. Buchel'nikov},
     title = {Structural, magnetic and magnetocaloric properties of {Fe-Ga} alloys},
     journal = {\v{C}el\^abinskij fiziko-matemati\v{c}eskij \v{z}urnal},
     pages = {580--591},
     publisher = {mathdoc},
     volume = {5},
     number = {4},
     year = {2020},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_4_a6/}
}
TY  - JOUR
AU  - M. V. Matyunina
AU  - V. V. Sokolovskiy
AU  - M. A. Zagrebin
AU  - V. D. Buchel'nikov
TI  - Structural, magnetic and magnetocaloric properties of Fe-Ga alloys
JO  - Čelâbinskij fiziko-matematičeskij žurnal
PY  - 2020
SP  - 580
EP  - 591
VL  - 5
IS  - 4
PB  - mathdoc
UR  - http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_4_a6/
LA  - ru
ID  - CHFMJ_2020_5_4_a6
ER  - 
%0 Journal Article
%A M. V. Matyunina
%A V. V. Sokolovskiy
%A M. A. Zagrebin
%A V. D. Buchel'nikov
%T Structural, magnetic and magnetocaloric properties of Fe-Ga alloys
%J Čelâbinskij fiziko-matematičeskij žurnal
%D 2020
%P 580-591
%V 5
%N 4
%I mathdoc
%U http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_4_a6/
%G ru
%F CHFMJ_2020_5_4_a6
M. V. Matyunina; V. V. Sokolovskiy; M. A. Zagrebin; V. D. Buchel'nikov. Structural, magnetic and magnetocaloric properties of Fe-Ga alloys. Čelâbinskij fiziko-matematičeskij žurnal, Tome 5 (2020) no. 4, pp. 580-591. http://geodesic.mathdoc.fr/item/CHFMJ_2020_5_4_a6/

[1] 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 | DOI

[2] 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, 111:2 (2012), 023905 | DOI

[3] Golovin I.S., Palacheva V.V., Mohamed A.K., Balagurov A.M., “The structure and properties of $Fe-Ga$ alloys – promising materials for electronics”, Physics of Metals and Metallography, 121:9 (2020), 937–980 | DOI

[4] O. Kubaschewski von Goldbeck, Iron-binary Phase Diagrams, Springer-Verlag, Berlin, 1982, 185 pp.

[5] 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. | DOI

[6] I. S. Golovin, A. K. Mohamed, I. A. Bobrikov, A. M. Balagurov, “Time-Temperature-Transformation from metastable to equilibrium structure in Fe-Ga”, Materials Letters, 263 (2020), 127257 | DOI

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

[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 | DOI

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

[10] Y. Zhang, R.Wu, “Mechanism of Large Magnetostriction of Galfenol”, IEEE Transactions on Magnetics, 47:10 (2011), 4044–4049 | DOI

[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 | DOI

[12] M. V. Matyunina, M. A. Zagrebin, V. V. Sokolovskiy, V. D.Buchelnikov, “Properties of Fe-Ga and Fe-Ga-V Alloys: Ab Initio Study”, Materials Research Proceedings, 9 (2018), 92–97 | DOI

[13] M. Matyunina, M. Zagrebin, V. Sokolovskiy, V. Buchelnikov, “Magnetostriction of Fe100??xGax alloys from first principles calculations”, Journal of Magnetism and Magnetic Materials, 476 (2019), 120–123 | DOI

[14] 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 | DOI

[15] 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 | DOI

[16] S. H.Vosko, L. Wilk, M. Nusair, “Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis”, Canadian Journal of Physics, 58 (1980), 1200–1211 | DOI | MR

[17] D.P. Landau, K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press, Cambridge, 2009, 488 pp. | MR | Zbl

[18] 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 | DOI