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Magnetic and Electronic Properties of Point Defects in ZrO2

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Abstract

Using the Korringa–Kohn–Rostoker Coherent Potential Approximation (KKR-CPA) method in connection with the Generalized Gradient Approximation (GGA), we study the magnetic and electronic properties of different point defects in cubic ZrO2. In particular, we discuss the zirconium interstitial (Zri), zirconium antisite (ZrO), zirconium vacancy (VZr), oxygen interstitial (Oi), oxygen antisite (OZr), and oxygen vacancy (VO) defects. It has been shown that oxygen vacancy and zirconium interstitial (VO, Zri) are n-type, while the other point defects are p-type. The magnetic moments are observed only in the oxygen interstitial and antisite (Oi, OZr) cases. The corresponding ferromagnetic states are more stable than the spin–glass states. It has been found that the mechanism responsible of such stabilities is the double exchange.

Based on Mean Field Approximation (MFA), the Curie temperature (T C ) is estimated. Moreover, it has been found that the Oi and OZr defects provide half-metallic properties being the responsible for ferromagnetism.

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References

  1. Steiner, S.A., Baumann, T.F., Bayer, B.C., Blume, R., Worsley, M.A., Moberly-Chan, W.J., Shaw, E.L., Schlogl, R., Hart, A.J., Hofmann, S., Wardle, B.L.: J. Am. Chem. Soc. 131, 12144 (2009)

    Article  Google Scholar 

  2. Ding, J., Liu, J., Guo, W.M.: J. Alloys Compd. 489, 286 (2009)

    Article  Google Scholar 

  3. Liu, M., He, C., Wang, J., Wang, W., Wang, Z.: J. Alloys Compd. 502, 319 (2010)

    Article  Google Scholar 

  4. Lamas, D.G., Bianchetti, M.F., Cabezas, M.D., Walsoe de Reca, N.E.: J. Alloys Compd. 495, 548 (2010)

    Article  Google Scholar 

  5. Shuk, P., Bailey, E., Guth, U.: Mod. Sens. Technol. 90, 174 (2008)

    Google Scholar 

  6. Song, X., Xie, M., Hao, X., Jia, F., An, S.: J. Alloys Compd. 497, L5 (2010)

    Article  Google Scholar 

  7. Ryshkewitz, E., Richardson, D.W.: Oxyde Ceramics: Physical Chemistry and Technology. General Ceramics, Haskell (1985)

    Google Scholar 

  8. Chattopadhyay, S., Neogi, S.K., Sarkar, A., Mukadam, M.D., Yusufc, S.M., Banerjeea, A., Bandyopadhyay, S.: J. Magn. Magn. Mater. 323, 363–368 (2011)

    Article  ADS  Google Scholar 

  9. Sato, K., Fukushima, T., Toyoda, M., Kizaki, H., Dinh, V.A., Fujii, H., Bergqvist, L., Dederichs, P.H., Katayama-Yoshida, H.: Physica B 404, 5237–5243 (2009)

    Article  ADS  Google Scholar 

  10. Sato, K., Dederichs, P.H., Katayama-Yoshida, H., Kudrnovsky, J.: Physica B 340–342, 863–869 (2003)

    Article  Google Scholar 

  11. Katayama-Yoshida, H., Sato, K.: Physica B 327, 337–343 (2003)

    Article  ADS  Google Scholar 

  12. Liu, C., Yun, F., Morkoc, H.: J. Mater. Sci., Mater. Electron. 16, 555 (2005)

    Article  Google Scholar 

  13. Fukumura, T., Toyosaki, H., Yamada, Y.: Semicond. Sci. Technol. 20, S103 (2005)

    Article  ADS  Google Scholar 

  14. Coey, J.M.D., Venkatesan, M., Fitzgerald, C.B.: Nat. Mater. 4, 173 (2005)

    Article  ADS  Google Scholar 

  15. Coey, J.M.D., Stamenov, P., Gunning, R.D., Venkatesan, M., Paul, K.: New J. Phys. 12, 053025 (2010)

    Article  ADS  Google Scholar 

  16. Dietl, T.: Nat. Mater. 9, 965 (2010)

    Article  ADS  Google Scholar 

  17. Samarth, N.: Nat. Mater. 6, 403 (2007)

    Article  ADS  Google Scholar 

  18. Khalil, B., Labrim, H., Mounkachi, O., Belhorma, B., Benyoussef, A., El Kenz, A., Ntsoenzok, E.: J. Supercond. Nov. Magn. 25, 1145–1150 (2012)

    Article  Google Scholar 

  19. Zhu, J., Alberstsma, S., van Ommen, J.G., Lefferts, L.: J. Phys. Chem. B 109, 9550 (2005)

    Article  Google Scholar 

  20. Foster, A.S., Sulimov, V.B., Lopez Gejo, F., Schluger, A.L., Nieminen, R.M.: Phys. Rev. B 64, 224108 (2001)

    Article  ADS  Google Scholar 

  21. Akai, H.: http://sham.phys.sci.osaka-u.ac.jp/kkr/

  22. Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  23. Stefanovich, E.V., Shluger, A., Catlow, C.R.: Phys. Rev. B 49, 11560 (1994)

    Article  ADS  Google Scholar 

  24. Mounkachi, O., Benyoussef, A., El Kenz, A., Saidi, E.H., Hlil, E.K.: J. Appl. Phys. 106, 093905 (2009)

    Article  ADS  Google Scholar 

  25. French, R.H., Glass, S.J., Ohuchi, F.S., Xu, Y.N., Ching, W.Y.: Phys. Rev. B 49, 5133 (1994)

    Article  ADS  Google Scholar 

  26. Jaffe, R.C., Hess, A.C.: Phys. Rev. B, Condens. Matter 248, 7903–7909 (1993)

    Article  ADS  Google Scholar 

  27. Khalil, B., Labrim, H., Mounkachi, O., Belhorma, B., Benyoussef, A., El Kenz, A., Belhaj, A.: J. Supercond. Nov. Magn. (2012). doi:10.1007/s10948-012-1696-9

    Google Scholar 

  28. Kroger, F.A.: The Chemistry of Imperfect Crystals. North-Holland, Amsterdam (1974)

    Google Scholar 

  29. Sato, K., Dederichs, P.H., Katayama-Yoshida, H., Kudrnovsky, J.: J. Phys. Condens. Matter 16, S5491 (2004)

    Article  ADS  Google Scholar 

  30. Belhadji, B., Bergqvist, L., Zeller, R., Dederichs, P.H., Sato, K., Katayama-Yoshid, H.: J. Phys. Condens. Matter 19, 436227 (2007)

    Article  ADS  Google Scholar 

  31. Akai, H.: Phys. Rev. Lett. 81, 3002 (1998)

    Article  ADS  Google Scholar 

  32. Sato, K., Katayama-Yoshida, H.: Semicond. Sci. Technol. 17, 367 (2002)

    Article  ADS  Google Scholar 

Download references

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Authors and Affiliations

  1. Laboratory of Magnetism and Physics of High Energies, URAC 12, Department of Physics, Faculty of Sciences, University Mohammed V, Agdal, B.P. 1014, Rabat, Morocco

    M. Boujnah, A. Benyoussef & A. El Kenz

  2. National Centre for Energy, Sciences and Nuclear Techniques, Rabat, Morocco

    H. Labrim, A. Belhaj & B. Belhorma

  3. Laboratoire de Chimie des Matériaux Solides, Faculté des Sciences Ben M’Sik, UH2M, Casablanca, Morocco

    K. Allam & A. El Bouari

  4. Institute of Nanomaterials and Nanotechnolog, MASCIR Foundation, Av. of the Royal Army, Madinat el Irfane, 10100, Rabat, Morocco

    A. Benyoussef

  5. Hassan II Academy of Science and Technology, 11 km, Av. Mohammed VI, Rabat, Morocco

    A. Benyoussef

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  1. M. Boujnah
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  2. H. Labrim
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  3. K. Allam
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  4. A. Belhaj
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  5. A. Benyoussef
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  6. A. El Kenz
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  7. B. Belhorma
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  8. A. El Bouari
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Correspondence to A. El Kenz.

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Boujnah, M., Labrim, H., Allam, K. et al. Magnetic and Electronic Properties of Point Defects in ZrO2 . J Supercond Nov Magn 26, 2429–2434 (2013). https://doi.org/10.1007/s10948-012-1826-4

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  • DOI: https://doi.org/10.1007/s10948-012-1826-4

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