Structural, Elastic, Electronic, and Magnetic Properties of the Full-Heusler Compounds Ti2NiX (X= Al, Ga, and In)

  • Abdelkader Boudali
  • Mostefa Zemouli
  • Fatiha Saadaoui
  • Mohamed Driss Khodja
Review Paper


We present a quantum-mechanical first-principle calculation of the structural, elastic, electronic, and magnetic properties of the full-Heusler compounds Ti2NiX (X= Al, Ga, and In). The calculation uses the full-potential linearized augmented plane waves plus local orbital method to describe Ti2-based Heusler alloys. The results show that these compounds exhibit half metallic characteristics over a wide range of mesh parameters and obey the Slater–Pauling rule, which states that the total magnetic moment per unit cell M t = Z t− 18 for half-Heusler compounds XYZ and M t = Z t− 24 for full-Heusler X 2 YZ compounds. For these new alloys Ti2NiX (X= Al, Ga, and In), we initially considered the two possible L21 structures AlCu2Mn and CuHg2Ti. However, two subsequent structural studies showed that only the CuHg2Ti-like structure is half metallic. Over a wide range of mesh parameters, the calculations give a total magnetic moment of 3.00 μ B. These results suggest that Ti2NiX (X= Al, Ga, and In) are promising materials for spintronic applications.


FP-LAPW Magnetic properties Spintronic 


  1. 1.
    Heusler, F., Verh, D.: DPG 5, 219 (1903)Google Scholar
  2. 2.
    Bradley, A. J., Rodgers, J. W.: Proceedings of the royal society of london. Series A, Containing Papers of a Mathematical and Physical Character 144, 340–359 (1934)Google Scholar
  3. 3.
    Prinz, G. A.: Phys.: Today 48, 58 (1995)Google Scholar
  4. 4.
    Kobayashi, K. I., Kimura, T., Sawada, H., Terakura, K., Tokura, K.: Nature 395, 677 (1998)ADSCrossRefGoogle Scholar
  5. 5.
    Park, J. H., Vescovo, E., Kim, H. J., Kwon, C., Ramecsh, R., Venkatesan, T.: Nature 392, 794 (1998)ADSCrossRefGoogle Scholar
  6. 6.
    Hashemifar, S. J., Kratzer, P., Scheffler, M.: Phys. Rev. Lett. 94, 096402 (2005)ADSCrossRefGoogle Scholar
  7. 7.
    Kervalishvili, P., Lagutin, A.: Microelectron J. 39, 1060 (2008)CrossRefGoogle Scholar
  8. 8.
    Hornstra, J., Bartels, W.J.: J. Cryst. Growth 44, 513–517 (1978)ADSCrossRefGoogle Scholar
  9. 9.
    Buschow, K.H.J., van Engern, P.G.: J. Magn. Magn. Mater 25, 90 (1981)ADSCrossRefGoogle Scholar
  10. 10.
    Weht, R., Pickett, W.E.: Phys. Rev. B 60, 13006 (1999)ADSCrossRefGoogle Scholar
  11. 11.
    Ozdogan, K., Galanakis, I., Sasioglu, E., Atkas, B.: J. Phys. Condens. Matter 18, 2905 (2006)ADSCrossRefGoogle Scholar
  12. 12.
    Chen, X.Q., Podloucky, R., Rogl, P.: J. Appl. Phys. 100, 113901 (2006)ADSCrossRefGoogle Scholar
  13. 13.
    Luo, H.Z., Zhu, Z.Z., Ma, L., Xu, S.F., Liu, H.Y., Wu, G.H.: J. Phys. D Appl. Phys. 40, 7121 (2007)ADSCrossRefGoogle Scholar
  14. 14.
    Galanakis, I., Ozdogan, K., Sasioglu, E., Aktas, B.: Phys. Rev. B 75, 172405 (2007)ADSCrossRefGoogle Scholar
  15. 15.
    Li, J., Li, Y.X., Zhou, G.X., Sun, Y.B., Sun, C.Q.: Appl. Phys. Lett. 94, 242502 (2009)ADSCrossRefGoogle Scholar
  16. 16.
    Fenga, L., Tanga, C., Wangb, S., Heb, W.: J. Alloy. Compd. 509, 5187–5189 (2011)CrossRefGoogle Scholar
  17. 17.
    Ryen, L., Wang, X., Helmersson, U., Olsson, E.: J. Appl. Phys. 85, 2828 (1999)ADSCrossRefGoogle Scholar
  18. 18.
    Fahy, S., Chang, K.J., Louie, S.G., Cohen, M.L.: Phys. Rev. B. 35, 5856 (1987)ADSCrossRefGoogle Scholar
  19. 19.
    Jones, R.O., Gunnarsson, O.: Rev. Mod. Phys. 61, 689 (1989)ADSCrossRefGoogle Scholar
  20. 20.
    Godby, R.W., Schlüter, M., Sham, L.J.: Phys. Rev. B. 37, 10159 (1988)ADSCrossRefGoogle Scholar
  21. 21.
    Lannoo, M., Schlüter, M., Sham, L.J.: Phys. Rev. B. 32, 3890 (1985)ADSCrossRefGoogle Scholar
  22. 22.
    Hedin, L., Lundqvist, B.I.: Solid state physics, vol. 23, pp 537–541. Academic Press, New York (1969)Google Scholar
  23. 23.
    Murnagham, F.D.: Proc. Nat. Acad. Sci. USA 30, 244 (1944)ADSCrossRefGoogle Scholar
  24. 24.
    Amara, K., Soudini, B., Rached, D., Boudali, A.: Comput. Mater. Sci. 44, 635–640 (2008)CrossRefGoogle Scholar
  25. 25.
    Wu, Z., Zhao, E., Xiang, H., Hao, X., Liu, X., Meng, J.: Phys. Rev. B 76, 054115 (2007)ADSCrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  • Abdelkader Boudali
    • 1
  • Mostefa Zemouli
    • 1
  • Fatiha Saadaoui
    • 1
  • Mohamed Driss Khodja
    • 1
  1. 1.Laboratory of Physico-chemical StudiesUniversity of SaidaSaidaAlgeria

Personalised recommendations