Journal of Superconductivity and Novel Magnetism

, Volume 32, Issue 2, pp 335–340 | Cite as

Ferromagnetism in (X, Y)-Codoped 4H-GaN Polytype X = Na and Mg, Y = Na and Mg: Ab Initio Study

  • M. TorrichiEmail author
  • A. Belfar
  • A. Mokeddem
Original Paper


In this work, the magnetic behavior of 4H-GaN polytype codoped with (X = Na and Mg, Y = Na and Mg) is studied by means of first-principle calculations based on spin-density functional theory within the generalized-gradient approximation. It is found that the most stable configuration reveals the smallest cohesion energy and the XY bond length is minimal. (X, Y )-codoped 4H-GaN reveals magnetism behavior, and the total magnetic moment comes mainly from the N host atoms. Interestingly, (Na, Na)-codoped 4H-GaN is found to be half-metallic ferromagnetic with a magnetic moment of 4 μB. Results show also that (Mg, Na)- and (Na, Mg)-codoped 4H-GaN are found to be nearly half-metallic ferromagnetic with a magnetic moment of 2.96 and 2.97 μB, respectively. Whereas (Mg, Mg)-codoped 4H-GaN have a metallic ferromagnetic behavior with a magnetic moment of 1.87 μB. The partial density of states denotes that magnetism is achieved through a p-p-like coupling between the impurity X-2p states of X atom, Y-2p states of Y atom, and N-2p states of N host atoms. These theoretical results make Na–Na-codoped 4H-GaN very promising materials for spintronic technology.


Codoped 4H-GaN Magnetism Density functional theory 


  1. 1.
    de Groot, R.A., Mueller, F.M., Engen, P.G.V., Buschow, K.H.J.: Phys. Rev. Lett. 50, 2024 (1983)ADSCrossRefGoogle Scholar
  2. 2.
    Dietl, T., Ohno, H., Matsukura, F., Cibert, J., Ferrand, D.: Science 287, 1019 (2000)ADSCrossRefGoogle Scholar
  3. 3.
    Mahadevan, P., Zunger, A.: Phys. Rev. B 69, 115211 (2004)ADSCrossRefGoogle Scholar
  4. 4.
    Shen, L., Wu, R.Q., Pan, H., Peng, G.W., Yang, M., Sha, Z.D., Feng, Y.P.: Phys. Rev. B 78, 073306 (2008)ADSCrossRefGoogle Scholar
  5. 5.
    Ferhat, M., Zaoui, A., Ahuja, R.: Appl. Phys. Lett. 94, 142502 (2009)ADSCrossRefGoogle Scholar
  6. 6.
    Yi, J.B., Lim, C.C., Xing, G.Z., Fan, H.M., Van, L.H., Huang, S.L., Yang, K.S., Huang, X.L., Qin, X.B., Wang, B.Y., Wu, T., Wang, L., Zhang, H.T., Gao, X.Y., Liu, T., Wee, A.T.S., Feng, Y.P., Ding, J.: Phys. Rev. Lett. 104, 137201 (2010)Google Scholar
  7. 7.
    Yang, K., Wu, R., Shen, L., Feng, Y.P., Dai, Y., Huang, B.: Phys. Rev. B 81, 125211 (2010)ADSCrossRefGoogle Scholar
  8. 8.
    Wu, H., Stroppa, A., Sakong, S., Picozzi, S., Scheffler, M., Kratzer, P.: Phys. Rev. Lett. 105, 267203 (2010)ADSCrossRefGoogle Scholar
  9. 9.
    Adli, W., Ferhat, M.: Solid State Commun. 189, 68 (2014)ADSCrossRefGoogle Scholar
  10. 10.
    Heber, J.: Nat. Phys. 10, 791 (2014)CrossRefGoogle Scholar
  11. 11.
    Bechstedt, F., Belabbes, A.: J. Phys. Condens. Matter 25, 273201 (2013)CrossRefGoogle Scholar
  12. 12.
    Yao, G., Fan, G., Zheng, S., Ma, J., Chen, J., Zhou, D., Li, S., Zhang, Y., Su, S.: Opt. Mater. 34, 1593 (2012)ADSCrossRefGoogle Scholar
  13. 13.
    Torrichi, M., Zaoui, A., Ferhat, M.: J. Supercond. Nov. Magn. 30, 1195 (2017)CrossRefGoogle Scholar
  14. 14.
    Torrichi, M., Ferhat, M., Bouhafs, B.: J. Magn. Magn. Mater. 414, 153 (2016)ADSCrossRefGoogle Scholar
  15. 15.
    Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRefGoogle Scholar
  16. 16.
    Vanderbilt, D.: Phys. Rev. B 41, 7892 (1990)ADSCrossRefGoogle Scholar
  17. 17.
    Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G.L., Cococcioni, M., Dabo, I., Dal Corso, A., Gironcoli, S.D., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj, A., Lazzeri, M., Martin-Samos, L., Marzari, N., Mauri, F., Mazzarello, R., Paolini, S., Pasquarello, A., Paulatto, L., Sbraccia, C., Scandolo, S., Sclauzero, G., Seitsonen, A.P., Smogunov, A., Umari, P., Wentzcovitch, R.M.: J. Phys. Condens. Matter 21, 395502 (2009)CrossRefGoogle Scholar
  18. 18.
    Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)ADSMathSciNetCrossRefGoogle Scholar
  19. 19.
    Murnaghan, F.D.: Proc. Natl. Acad. Sci. USA 30, 244 (1944)ADSCrossRefGoogle Scholar
  20. 20.
    Syed Kaleemullaha, N., Ramsubramanianb, S., Mohankumara, R., Munawar Bashac, S., Rajagopalana, M., Kumara, J.: Solid State Commun. 249, 7 (2017)ADSCrossRefGoogle Scholar
  21. 21.
    Liu, G., Ho, B., Zhang, R.: Mod. Phys. Lett. B 28(3), 1450017 (2014)ADSCrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Département de Physique Energétique, Faculté de PhysiqueUniversité des Sciences et de la Technologie d’Oran Mohamed Boudiaf (USTO-MB)OranAlgeria

Personalised recommendations