Abstract
Structural and electronic properties of Mn3Z alloys (Z = Ga, Ge) are studied ab initio. It is shown that in the cubic and tetragonal phases, the configuration with antiparallel orientation of magnetic moments of Mn atoms on different sublattices is energetically advantaheous. Calculations of the electronic densities of states show that the spin polarization of the tetragonal phase is around 60%. The obtained results are in good agreement with experimental data.
REFERENCES
Felser, C. and Hirohata, A., Heusler Alloys: Properties, Growth, Applications, Felser, C. and Hirohata, A., Eds., Springer Series in Materials Science, vol. 222, New York: Springer, 2016.
Marchenkov V.V., Irkhin V.Y., Phys. Met. Metallogr., 2021, vol. 122, p. 1133.
Wurmehl, S., Kandpal, H.C., Fecher, G.H., and Felser, C., J. Phys.: Condens. Matter, 2006, vol. 18, p. 6171.
Krén, E. and Kádár, G., Solid State Commun., 1970, vol. 8, no. 20, p. 1653.
Brown, P.J., Nunez, V., Tasset, F., et al., J. Phys.: Condens. Matter, 1990, vol. 2, p. 9409.
Zhang, D., Yan, B., Wu, S.-C., et al., J. Phys.: Condens. Matter, 2013, vol. 25, p. 206006.
Winterlik, J., Chadov, S., Gupta, A., et al., Adv. Mater., 2012, vol. 24, no. 47, p. 6283.
Niida, H., Hori, T., Onodera, H., et al., J. Appl. Phys., 1996, vol. 79, no. 8, p. 5946.
Winterlik, J., Balke, B., Fecher, G.H., et al., Phys. Rev. B, 2008, vol. 77, no. 5, p. 054406.
Balke, B., Fecher, G.H., Winterlik, J., and Felser, C., Appl. Phys. Lett., 2007, vol. 90, p. 152504.
Kurt, H., Rode, K., Venkatesan, M., et al., Phys. Rev. B, 2011, vol. 83, p. 020405(R).
Kurt, H., Baadji, N., Rode, K., et al., Appl. Phys. Lett., 2012, vol. 101, p. 132410.
Ebert, H., Ködderitzsch, D., and Minár, J., Rep. Prog. Phys., 2011, vol. 74, p. 096501.
Zabloudil, J., Hammerling, R., Szunyogh, L., and Weinberger, P., Phys. Rev. B, 2006, vol. 73, p. 115410.
Zagrebin, M.A., Sokolovskiy, V.V., and Buchelnikov, V.D., J. Phys. D: Appl. Phys., 2016, vol. 49, p. 355004.
Jourdan, M., Minár, J., Braun, J., et al., Nat. Commun., 2014, vol. 5, p. 3974.
Kresse, G. and Furthmüller, J., Phys. Rev. B, 1996, vol. 54, p. 11169.
Kresse, G. and Joubert, D., Phys. Rev. B, 1999, vol. 59, p. 1758.
Perdew, J.P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett., 1996, vol. 77, p. 3865.
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This work was supported by the Russian Science Foundation, project no. 22-12-20032.
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Translated by N. Petrov
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Obambi, M.A., Zagrebin, M.A. & Buchelnikov, V.D. Electronic Properties of Mn3Z (Z = Ga, Ge) Alloys: Studies from First Principles. Bull. Russ. Acad. Sci. Phys. 87, 416–419 (2023). https://doi.org/10.3103/S1062873822701362
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DOI: https://doi.org/10.3103/S1062873822701362