Electronic and Magnetic Investigations of Rare-Earth Tm-doped AlGaN Ternary Alloy


Electronic structure and magnetic interaction of substitutional thulium rare earth-doped wurtzite Al0.5Ga0.5N ternary alloy have been performed using density-functional theory within local spin-density approximation with Hubbard-U corrections (LSDA+U) approach. The LSDA+U method is applied to the rare earth (RE) 4f states. The calculation of formation energy shows that it is more energetically favorable for a substitutional Tm atom to replace the Al atom than the Ga atom. For AlGaN:Tm, the lattices parameters are expanded due to larger ionic radius of Tm than that of Al atoms. The energy band gap of AlGaN:Tm has direct character and its width becomes small compared with that of AlGaN. The magnetic coupling between Tm ions in the nearest neighbor sites is ferromagnetic. Magnetic interaction of rare earth ion with the host states at the valence and conduction band edges has been investigated and compared to those of GaN:Mn and has been found to be relatively small.

This is a preview of subscription content, log in to check access.

Fig. 1
Fig. 2
Fig. 3
Fig. 4


  1. 1.

    Monemar, B.: Phys. Rev. B 10, 676 (1974)

    ADS  Article  Google Scholar 

  2. 2.

    Perry, P.B., Rutz, R.F.: Appl. Phys. Lett. 33, 319 (1978)

    ADS  Article  Google Scholar 

  3. 3.

    Teraguchi, N., Suzuki, A., Nanishi, Y., Zhou, Y.-K., Hashimoto, M., Asahi, H.: Sol. State Commun. 122, 651 (2002)

    ADS  Article  Google Scholar 

  4. 4.

    Dhar, S., Brandt, O., Ramsteiner, M., Sapega, V.F., Ploog, K.H.: Phys. Rev. Lett. 94, 037205 (2005)

    ADS  Article  Google Scholar 

  5. 5.

    Asahi, H., Zhou, Y.K., Hashimoto, M., Kim, M.S., Li, X.J., Emura, S., Hasegawa, S.: J. Phys. Condens. Matter 16, S5555 (2004)

    ADS  Article  Google Scholar 

  6. 6.

    Dhar, S., Kammermeier, T., Ney, A., Perez, L., Ploog, K.H., Melnikov, A., Wieck, A.D.: Appl. Phys. Lett. 89, 062503 (2006)

    ADS  Article  Google Scholar 

  7. 7.

    Hite, J.K., Thaler, G.T., Khanna, R., Abernathy, C.R., Pearton, S.J., Park, J.H., Steckl, A.J., Zavada, J. M.: Appl. Phys. Lett. 89, 132119 (2006)

    ADS  Article  Google Scholar 

  8. 8.

    Tao, D., Liu, C., Yin, C., Li, J.: Mater. Lett. 114, 22 (2014)

    Article  Google Scholar 

  9. 9.

    Han, S.Y., Hite, J., Thaler, G.T., Frazier, R.M., Abernathy, C.R., Pearton, S.J., Choi, H.K., Lee, W.O., Park, Y.D., Zavada, J.M., Gwilliam, R.: Appl. Phys. Lett. 88, 042102 (2006)

    ADS  Article  Google Scholar 

  10. 10.

    Nepal, N., Bedair, S.M., El-Masry, N.A., Lee, D.S., Steckl, A.J., Zavada, J.M.: Appl. Phys. Lett. 91, 222503 (2007)

    ADS  Article  Google Scholar 

  11. 11.

    Filhol, J.-S., Jones, R., Shaw, M.J., Briddon, P.R.: Appl. Phys. Lett. 84, 2841 (2004)

    ADS  Article  Google Scholar 

  12. 12.

    Svane, A., Christensen, N.E., Petit, L., Szotek, Z., Temmerman, W.M.: Phys. Rev. B 74, 165204 (2006)

    ADS  Article  Google Scholar 

  13. 13.

    Lazreg, A., Dridi, Z., Benkaboub, F., Bouhafs, B.: Physica B 403, 2702 (2008)

    ADS  Article  Google Scholar 

  14. 14.

    Dridi, Z., Lazreg, A., Rozale, H., Bouhafs, B.: Comput. Mater. Sci. 48, 743 (2010)

    Article  Google Scholar 

  15. 15.

    Caroena, G., Machado, W.V.M., Justo, J.F., Assali, L.V.C.: Appl. Phys. Lett. 102, 062101 (2013)

    ADS  Article  Google Scholar 

  16. 16.

    Dridi, Z., Lazreg, A., Bouhafs, B.: J. Magn. Magn. Mater. 323, 1174 (2011)

    ADS  Article  Google Scholar 

  17. 17.

    Schulthess, T.C., Temmerman, W.M., Szotek, Z., Bulter, W.H., Malcolm Stocks, G.: Nat. Mater. 4, 838 (2005)

    ADS  Article  Google Scholar 

  18. 18.

    Mishraa, J.K., Dhar, S.: Solid State Commun. 226, 25 (2016)

    ADS  Article  Google Scholar 

  19. 19.

    Mitra, C., Lambrecht, W.R.L.: Phys. Rev. B 80, 081202(R) (2009)

    ADS  Article  Google Scholar 

  20. 20.

    Zhang, Z., Schwingenschlögl, U., Roqan, I.S.: J. Appl. Phys. 116, 183905 (2014)

    ADS  Article  Google Scholar 

  21. 21.

    Thiess, A., Blügel, S., Dederichs, P.H., Zeller, R., Lambrecht, W.R.L.: Phys. Rev. B 92, 104418 (2015)

    ADS  Article  Google Scholar 

  22. 22.

    Tang, Z., Zhang, D.Y., Tang, L.M., Wang, L.L., Chen, K.Q.: Eur. Phys. J. B 86, 284 (2013)

    ADS  Article  Google Scholar 

  23. 23.

    Zhen-Tao, H., Yan-Ru, L., He-Yan, L., Xue-Fang, D., Guo-Dong, L., Cai-Chi, L., Ying, L.: Acta Phys. Sin. 65, 127102 (2016)

    Google Scholar 

  24. 24.

    Steckl, A.J., Zavada, J.M.: MRS Bull. 24, 33 (1999)

    Article  Google Scholar 

  25. 25.

    Lozykowski, H.J., Jadwisienczak, W.M., Brown, I.: Appl. Phys. Lett. 74, 1129 (1999)

    ADS  Article  Google Scholar 

  26. 26.

    Steckl, A.J., Garter, M., Lee, D.S., Heikenfeld, J., Birkhahn, R.: Appl. Phys. Lett. 75, 2184 (1999)

    ADS  Article  Google Scholar 

  27. 27.

    Lorenz, K., Wahl, U., Alves, E., Dalmasso, S., Martin, R.W., O’Donnell, K.P., Ruffenach, S., Briot, O.: Appl. Phys. Lett. 85, 2712 (2004)

    ADS  Article  Google Scholar 

  28. 28.

    Zavada, J.M., Nepal, N., Lin, J.Y., Jiang, H.X., Brown, E., Hömmerich, U., Hite, J., Thaler, G.T., Abernathy, C.R., Pearton, S.J., Gwilliam, R.: Appl. Phys. Lett. 89, 152107 (2006)

    ADS  Article  Google Scholar 

  29. 29.

    Steckl, A.J., Park, J.H., Zavada, J.M.: Mater. Today 10, 20 (2007)

    Article  Google Scholar 

  30. 30.

    Nepal, N., Bedair, S.M., El-Masry, N.A., Lee, D.S., Steckl, A.J., Zavada, J.M.: Appl. Phys. Lett. 91, 222503 (2007)

    ADS  Article  Google Scholar 

  31. 31.

    Anisimov, V.I., Zaanen, J., Andersen, O.K.: Phys. Rev. B 44, 943 (1991)

    ADS  Article  Google Scholar 

  32. 32.

    Anisimov, V.I., Solovyev, I.V., Korotin, M.A., Czyzyk, M.T., Sawatzky, G.A.: Phys. Rev. B 48, 16929 (1993)

    ADS  Article  Google Scholar 

  33. 33.

    Wimmer, E., Krakauer, H., Weinert, M., Freeman, A.J.: Phys. Rev. B 24, 864 (1981)

    ADS  Article  Google Scholar 

  34. 34.

    Jansen, H.J.F., Freeman, A.J.: Phys. Rev. B 30, 561 (1984)

    ADS  Article  Google Scholar 

  35. 35.

    Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2k, an augmented plane wave + local orbitals program for calculating crystal properties. Technische Universität Wien, Austria (2001)

    Google Scholar 

  36. 36.

    Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)

    ADS  MathSciNet  Article  Google Scholar 

  37. 37.

    Larson, P., Lambrecht, R.L.: Phys. Rev. B 75, 045114 (2007)

    ADS  Article  Google Scholar 

  38. 38.

    Dridi, Z., Bouhafs, B., Ruterana, P.: Semicond. Sci. Technol. 18, 850 (2003)

    ADS  Article  Google Scholar 

  39. 39.

    Van de Walle, C.G.: Phys. Rev. Lett. 85, 1015 (2000)

    Google Scholar 

  40. 40.

    Van Schilfgaarde, M., Sher, A., Chen, A.-B.: J. Cryst. Growth 178, 8 (1997)

    ADS  Article  Google Scholar 

  41. 41.

    Fritsch, J., Sankey, O.F., Schmidt, K.E., Page, J.B.: J. Phys. Condens. Matter 11, 2351 (1999)

    ADS  Article  Google Scholar 

  42. 42.

    Lee, S.R., Wright, A.F., Crawford, M.H., Petersen, G.A., Han, J., Biefeld, R. M.: Appl. Phys. Lett. 74, 3344 (1999)

    ADS  Article  Google Scholar 

  43. 43.

    Dalpian, G.M., Wei, S.-H.: Phys. Rev. B 72, 115201 (2005)

    ADS  Article  Google Scholar 

  44. 44.

    Larson, B.E., Hass, K.C., Ehrenreich, H., Carlsson, A.E.: Phys. Rev. B 37, 4137 (1988)

    ADS  Article  Google Scholar 

Download references

Author information



Corresponding author

Correspondence to Z. Dridi.

Rights and permissions

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

Cite this article

Belhachi, S., Lazreg, A., Dridi, Z. et al. Electronic and Magnetic Investigations of Rare-Earth Tm-doped AlGaN Ternary Alloy. J Supercond Nov Magn 31, 1767–1771 (2018). https://doi.org/10.1007/s10948-017-4393-x

Download citation


  • Rare-earth
  • AlGaN
  • Ferromagnetism
  • LSDA+U