Modelling of Rhombohedral Magnetostriction in Fe–Ga Alloys
DOI:
https://doi.org/10.14529/mmp190214Keywords:
magnetocrystalline anisotropy energy, ab intio calculations, rhobohedral magnetostriction.Abstract
The paper presents the results of modelling of rhombohedral magnetostriction for Fe– Ga alloys in the cubic crystal structures. The results are obtained with the help of the theory of density functional. We show that the energy of magnetic crystalline anisotropy is a decreasing function of the small deformation in the concentration range from 3,125 to 25 at.%. Magnetic crystalline anisotropy changes the sign, if the deformation is more than 1% for alloys with Ga 15,625, 21,875 and 25 at.%. Rhombohedral magnetostriction constant agrees well with the experiment results for alloys with Ga concentration at 12,5 – 18,75 at.%.References
Clark A.E., Hathaway K.B., Wun-Fogle M. Extraordinary Magnetoelasticity and Lattice Softening in Bcc Fe-Ga Alloys. Journal of Applied Physics, 2003, vol. 93, pp. 8621-8623. DOI: 10.1063/1.1540130
Restorff J.B., Wun-Fogle M., Hathaway K.B. et al. 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, 2012, vol. 111, p. 023905. DOI: 10.1063/1.3674318
Qingsong Xing, Yingzhou Du, McQueeney R.J., Lograsso T.A. Structural Investigations of Fe-Ga Alloys: Phase Relations and Magnetostrictive Behavior. Acta Materialia, 2008, vol. 56, pp. 4536-4546. DOI: 10.1016/j.actamat.2008.05.011
Yanning Zhang, Hui Wang, Ruqian Wu. First Principles Determination of the Rhombohedral Magnetostriction of Fe{100-x}Al{x} and Fe{100-x}Ga{x} Alloys. Physical Review B, 2012, vol. 86, p. 224410. DOI: 10.1103/PhysRevB.86.224410
Chikazumi S. tPhysics of Ferromagnetism. New York, Oxford University Press, 1997.
Kresse G., Furthm"uller J. Efficient Iterative Schemes for Initio Total-Energy Calculations Using a Plane-Wave Basis Set. Physical Review, 1996, vol. 54, pp. 11169-11186. DOI: 10.1103/PhysRevB.54.11169
Kresse G., Joubert D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Physical Review, 1999, vol. 59, pp. 1758-1775. DOI: 10.1103/PhysRevB.59.1758
Perdew J.P., Burke K., Enzerhof M. Generalized Gradient Approximation Made Simple. Physical Review Letters, 1996, vol. 77, pp. 3865-3868. DOI: 10.1103/PhysRevLett.77.3865
Monkhorst H.J., Pack J.D. Special Points for Brillouin-Zone Integrations. Physical Review, 1976, vol. 13, pp. 5188-5192. DOI: 10.1103/PhysRevB.13.5188
Matyunina M.V., Zagrebin M.A., Sokolovskiy V.V., Pavlukhina O.O., Buchelnikov V.D., Balagurov A.M., Golovin I.S. Phase Diagram of Magnetostrictive Fe-Ga Alloys: Insights from Theory and Experiment. Phase Transitions, 2019, vol. 92, pp. 101-116. DOI: 10.1080/01411594.2018.1556268








