Abstract
The Heusler alloy system is a rich source of functional materials. We studied the ternary alloy V2NiSe by first-principles calculations to explore for a new functional alloy. We performed geometry optimization for the alloy with Hg2CuTi-type structure and obtained the equilibrium lattice parameter a 0. The magnetic moment of the compound is 0.707 µ B in 1-unit cell. The total density of states and the partial density of states were calculated. The band structure was also studied. The magnetic moment of the two vanadium atoms in 1-unit cell in different space positions is different.
Similar content being viewed by others
References
Murray, S.J., Marioni, M., Allen, S.M., O’Handley, R.C., Lograsso, T.A.: Appl. Phys. Lett. 77, 886 (2000)
de Groot, R.A., Mueller, F.M., van Engen, P.G., Buschow, K.H.J.: Phys. Rev. Lett. 50, 2024 (1983)
Pierre, J., Skolozdra, R.V., Gorelenko, Yu.K., Kouacou, M.: J. Magn. Magn. Mater. 134, 95 (1994)
Donni, A., Fischer, P., Fauth, F., Convert, P., Aoki, Y., Sugawara, H., Sato, H.: Physica B. 259, 705 (1999)
Ullakko, K.: International Conference on Magnetic Transaction, ICOMAT-95. Lausanne, Switzerland (1995)
Liu, Z.H., Zhang, M., Cui, Y.T., Zhou, Y.Q., Wang, W.H., Wu, G.H., Zhang, X.X., Xiao, G.: Appl. Phys. Lett. 82, 424 (2003)
Sutou, Y., Imano, Y., Koeda, N., Omori, T., Kainum, R., Ishida, K., Oikawa, K.: Appl. Phys. Lett. 85, 4358 (2004)
Kainuma, R., Imano, Y., Ito, W., Sutou, Y., Morito, H., Okamoto, S., Kitakami, O., Oikawa, K., Fujita, A., Kanomata, T., Ishida, K.: Nature 439, 957 (2006)
Oikawa, K., Ito, W., Imano, Y., Sutou, Y., Kainuma, R., Ishida, K., Okamoto, S., Kitakami, O., Kanomata, T.: Appl. Phys. Lett. 88, 22507 (2006)
Yu, S.Y., Liu, Z.H., Liu, G.D., Chen, J.L., Cao, Z.X., Wu, G.H., Zhang, B., Zhang, X.X.: Appl. Phys. Lett. 89, 162503 (2006)
Heusler, F., et al.: Deut. Phys. Ges. 5, 219 (1903)
Clark, A.E., et al.: AIP Conf. Proc. 10, 1015 (1974)
Hohenberg, P., Kohn, P.: Phys. Rev. 136, B864 (1964)
Liu, Z.H., Zhang, M., Cui, Y.T, Zhou, Y.Q, Wang, W.H, Wu, G.H, Zhang, X.X., Xiao, G.: Appl. Phys. Lett. 82, 424 (2003)
Fujita, A., Fukamichi, K., Gejima, F., Kainuma, R., Isshida, K.: Appl. Phys. Lett. 77, 3054 (2001)
Wuttig, M., Li, J., Craciunescu, C.: Scr. Mater. 44, 2393 (2001)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Qu, Y., Zhang, D., Gao, J. et al. V 2 NiSe: a First-Principles Study. J Supercond Nov Magn 28, 3553–3556 (2015). https://doi.org/10.1007/s10948-015-3187-2
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10948-015-3187-2