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Effect of Intrinsic Defects on Electronic and Magnetic Properties in Tm-Doped GaN: First-Principles Calculations

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Abstract

Based on the density functional theory, we investigate the electronic and magnetic properties of various types of defect complexes formed by dopant Tm and Ga vacancies, N vacancies, or O interstitial in Tm-doped GaN. Formation energies are first calculated for all defect complexes to assess their stability. The single Tm dopant is found to introduce the local magnetic moment of about 2 μB/Tm in GaN. However, in the case of defect complexes, the magnetic moments of Tm can be suppressed by the existence of Ga vacancies around it, while the presence of N vacancies or O interstitial does not influence the magnetic moment of Tm. In addition, each Ga vacancy in the neutral charge state induces the local magnetic moment of about 2.1 μB and one octahedral O interstitial can lead to the local moment of about 1.6 μB.

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References

  1. O’Donnell, K.P., Dierolf, V.: Rare earth doped III-Nitrides for optoelectronic and spintronic applications. Springer, Berlin (2010)

    Book  Google Scholar 

  2. Dierolf, V., Ferguson, L., Zavada, J. M.: Rare earth and transition metal doping of semiconductor materials synthesis, magnetic properties and room temperature spintronics. Woodhead Publishing, Sawston (2016)

    Google Scholar 

  3. Birkhahn, R., Garter, M., Steckl, A. J.: Appl. Phys. Lett. 74, 2161 (1999)

    Article  ADS  Google Scholar 

  4. Heikenfeld, J., Garter, M., Lee, D. S., Birkhahn, R., Steckl, A. J.: Appl. Phys. Lett. 75, 1189 (1999)

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

  6. Lee, D. S., Steckl, A. J.: Appl. Phys. Lett. 83, 2094 (2003)

    Article  ADS  Google Scholar 

  7. Hömmerich, U., Nyein, E. E., Lee, D. S., et al.: Appl. Phys. Lett. 83, 4556 (2003)

    Article  ADS  Google Scholar 

  8. Kim, J. H., Davidson, M. R., Holloway, P. H.: Appl. Phys. Lett. 83, 4746 (2003)

    Article  ADS  Google Scholar 

  9. Hömmerich, U., Nyein, E. E., Lee, D. S., Heikenfeld, J., Steckl, A. J., Zavada, J. M.: Mater. Sci. Eng. B 105, 91 (2003)

    Article  Google Scholar 

  10. Liu, Q. L., Bando, Y., Xu, F. F.: Appl. Phys. Lett. 85, 4890 (2004)

    Article  ADS  Google Scholar 

  11. O’Donnell, K. P., Hourahine, B.: Eur. Phys. J. Appl. Phys 36, 91 (2006)

    Article  ADS  Google Scholar 

  12. Dhar, S., Péres, L., Brandt, O., Trampert, A., Ploog, K. H., Keller, J., Beschoten, B.: Phys. Rev. B 72, 245203 (2005)

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

  14. Nepal, N., Bedair, S. M., El-Masry, N. A., et al.: Appl. Phys. Lett 91, 222503 (2007)

    Article  ADS  Google Scholar 

  15. Goumri-Said, S., Kanoun, M. B.: J. Phys. D: Appl. Phys. 41, 035004 (2008)

    Article  ADS  Google Scholar 

  16. Sofer, Z., Sedmidubsk, D., Moram, M., Mackov, A., Maryko, M., Hejtmnek, J., Buchal, C., Hardtdegen, H., Vclav, M., et al.: Thin Solid Films 519, 6120 (2011)

    Article  ADS  Google Scholar 

  17. Cao, X. G., Liu, C., Yin, C. H., Tao, D. Y., Yang, C., Man, B. Y.: Sci. Eng. B 178, 349 (2013)

    Article  Google Scholar 

  18. Li, Y. C., Yu, S., Meng, X. Q., Liu, Y. H., Zhao, Y. H., Liu, F. Q., Wang, Z. G.: J. Phys. D: Appl. Phys. 46, 215101 (2013)

    Article  ADS  Google Scholar 

  19. Lo, F. Y., Guo, J. Y., Huang, C. D., Chou, K. C., Liu, H. L., et al.: Curr. Appl. Phys. 14, S7 (2014)

    Article  Google Scholar 

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

    Article  ADS  Google Scholar 

  21. Gohda, Y., Oshiyama, A.: Phys. Rev. B 78, 161201 (2008)

    Article  ADS  Google Scholar 

  22. Liu, L., Yu, P. Y., Ma, Z. X., Mao, S. S.: Phys. Rev. Lett.s 100, 127203 (2008)

    Article  ADS  Google Scholar 

  23. Thiess, A., Dederichs, P. H., Zeller, R., Blügel, S., Lambrecht, W. R. L.: Phys. Rev. B 86(R), 180401 (2012)

    Article  ADS  Google Scholar 

  24. Khaderbad, M. A., Dhar, S., Pérez, L., Ploog, K. H., Melnikov, A., Wieck, A. D.: Appl. Phys. Lett. 91, 072514 (2007)

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

  27. Maryško, M., Hejtmánek, J., Laguta, V., Sofer, Z., Sedmidubský, D., et al.: J. Appl. Phys. 117, 17B907 (2015)

    Article  Google Scholar 

  28. Belhachi, S., Lazreg, A., Dridi, Z., et al.: J. Supercond. Nov. Magn. (2017)

  29. Kresse, G., Furthmüller, J.: Phys. Rev. B 54, 11169 (1996)

    Article  ADS  Google Scholar 

  30. Blöchl, P.: Phys. Rev. B 50, 17953 (1994)

    Article  ADS  Google Scholar 

  31. Kresse, G., Joubert, J.: Phys. Rev. B 59, 1758 (1999)

    Article  ADS  Google Scholar 

  32. Larson, P., Lambrecht, W. R., Chantis, A., et al.: Phys. Rev. B 75, 045114 (2007)

    Article  ADS  Google Scholar 

  33. Van de Walle, C. G., Janotti, A.: Phys. Status Solid B 248, 19 (2011)

    Article  ADS  Google Scholar 

  34. Bougrov, V., Levinshtein, M. E., Rumyantsev, S. L., Zubrilov, A.: Properties of advanced semiconductor materials GaN, AlN, InN, BN, SiC, SiGe. In: Levinshtein, M. E., Rumyantsev, S. L., Shur, M. (eds.) , pp 1–30. Wiley, New York (2001)

  35. Ney, A., Kammermeier, T., Manuel, E., Ney, V., et al.: Appl. Phys. Lett. 90, 252515 (2007)

    Article  ADS  Google Scholar 

  36. Sanna, S., Schmid, W., Frauenheim, T., Gerstmann, U.: Phys. Rev. B 80, 104120 (2009)

    Article  ADS  Google Scholar 

  37. Li, Q. Q., Hao, Q. Y., Li, Y., Liu, G. D.: Comp. Mater. Sci 72, 32 (2013)

    Article  Google Scholar 

  38. Li, Q. Q., Hao, Q. Y., Li, Y., Liu, G. D.: Acta Phys. Sina. 62, 017103 (2013)

    Google Scholar 

  39. Hou, Z. T., Li, Y. R., Liu, H. Y., Dai, X. F., Liu, G. D., Liu, C. C., Li, Y.: Acta Phys. Sina. 65, 127102 (2016)

    Google Scholar 

  40. Li, Y., Hou, Z. T., Li, Y. R., Su, H. L., Liu, C. C., Wang, M.: J. Appl. Phys 122, 023901 (2017)

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

  42. Mitchell, B., Timmerman, D., Poplawsky, J., Zhu, W., Lee, D., Wakamatsu, R., et al.: Sci. Rep. 6, 18808 (2016)

    Article  ADS  Google Scholar 

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Funding

This work is supported by the Scientific Research Project of Hebei Province High Level Talents in Colleges and Universities, China (Grant No. GCC2014023).

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Authors and Affiliations

  1. School of Materials Science and Engineering, Hebei University of Technology, Tianjin, 300130, China

    Y. R. Li, H. L. Su, Z. T. Hou, H. Y. Liu, C. C. Liu & Y. Li

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  1. Y. R. Li
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  2. H. L. Su
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  3. Z. T. Hou
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  4. H. Y. Liu
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  5. C. C. Liu
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Correspondence to Y. Li.

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Li, Y.R., Su, H.L., Hou, Z.T. et al. Effect of Intrinsic Defects on Electronic and Magnetic Properties in Tm-Doped GaN: First-Principles Calculations. J Supercond Nov Magn 31, 3911–3917 (2018). https://doi.org/10.1007/s10948-018-4654-3

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  • DOI: https://doi.org/10.1007/s10948-018-4654-3

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