A First-Principles Study of Heusler Alloy Cr2ZrGe


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The band structures and magnetic properties of Heusler alloy Cr2ZrGe with Cu2MnAl -type have been investigated by first-principles calculations. The alloy is predicted to be close to half-metal ferromagnet. The alloy has a total magnetic moment of 3.98μB per unit cell on first-principles calculations which is in agreement with the SlaterPauling (SP) rule. The magnetic moments of Cr(A) atom and Cr(C) atom which are both much larger than that of atom Zr(C) are same. This similarity comes from similar atom coordination surroundings of Cr(A) and Cr(C) atoms in crystal structure.



Edited by:

M.T. Zhao




L. Feng et al., "A First-Principles Study of Heusler Alloy Cr2ZrGe", Advanced Materials Research, Vol. 710, pp. 166-169, 2013

Online since:

June 2013




[1] F. Heusler, W. Starck and E. Haupt: Verh. Deutsch. Phys. Ges Vol. 5 (1903), p.220.

[2] R.A. de Groot, F.M. Mueller, P.G. van Engen and K.H.J. Buschow: Phys. Rev. Lett Vol. 50 (1983), p. (2024).

[3] S. J. Murray, M. Marioni, S. M. Allen, R. C. O'Handley and T. A. Lograsso: Appl. Phys. Lett Vol. 77 (2000), p.886.

[4] A. Dnni, P. Fischer, F. Fauth, P. Convert, Y. Aoki, H. Sugawara and H. Sato: Physica B Vol. 259 (1999), p.705.

[5] J. Pierre, R. V. Skolozdra, Yu. K. Gorelenko and M. Kouacou: J. Magn. Magn. Mater Vol. 134 (1994), p.95.

[6] P. Webster: Contemp. Phys Vol. 10(1969), p.559.

[7] V. A. Chernenko, E. Cesari, V. V. Kokorin, and I. N. Vitenko: Scripta Metllurgica et Materialia Vol. 33 (1995), p.1239.

DOI: https://doi.org/10.1016/0956-716x(95)00370-b

[8] K. Ullakko, J.K. Huang, C. Kantner, R.C. O'Handley and V.V. Kokorin: Applied Physics Letters Vol. 69 (1996), p. (1966).

[9] G. H. Wu, C. H. Yu, L. Q. Meng, J. L. Chen, F. M. Yang, S. R. Qi, W. S. Zhan, Z. Wang, Y. F. Zheng and L. C. Zhao: Appl. Phys. Lett Vol. 75 (1999), p.2990.

[10] A. E. Clark, et al: AIP Conf. Proc Vol. 10 (1973), p.749.

[11] A. E. Clark, et al: AIP Conf. Proc Vol. 10 (1974), p.1015.

[12] K. Ullakko, Int. Conf. on Magnetic Trans, ICOMAT-95, Lausanne, Switz, Aug. 20-25 (1995).

[13] Liu Z. H, Zhang M, Cui Y. T, Zhou Y. Q, Wang W. H, Wu G. H, Zhang X. X and Xiao G: Appl. Phys. Lett Vol. 82 (2003), p.424.

[14] A. Fujita, K. Fukamichi, F. Gejima, R. Kainuma and K. Isshida: Appl. Phys. Lett Vol. 77 (2001), p.3054.

[15] M. Wuttig, J. Li and C. Craciunescu: Scripta Materialia Vol. 44 (2001), p.2393.

[16] K. Oikawa, L. Wulff, T. Iijima, F. Gejima, T. Ohmori, A. Fujita, K. Fukamichi, R. Kainuma and K. Ishida: Appl. Phys. Lett Vol. 79 (2001), p.3290.

DOI: https://doi.org/10.1063/1.1418259