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Theoretical study of vacancies and adatoms in white graphene

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Abstract

The stability of the B and N atomic vacancies and divacancies in an h-BN monolayer deformed by 2 and 4% along one of the axes has been investigated. It has been established that the N atomic vacancies are most stable; their concentration is insignificant and does not affect the properties of white graphene. The number of vacancies depends on the mobility of N and B atoms on the layer surface; therefore, the probability of recombination with the vacancies has been estimated. It has been revealed that the energy barrier for the migration of the B and N adatoms is about 0.23 and 1.23 eV, respectively. In view of such a low barrier for the B adatom, this type of adatoms will quite rapidly move over the surface and recombine with vacancies, in contrast to the N adatoms. Therefore, only nitrogen atom vacancies can exist in the h-BN monolayer grown by the methods, where the adatoms could possibly appear on the surface.

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References

  1. J. H. Edgar, Properties of Group III Nitrides (INSPEC, London, 1994).

    Google Scholar 

  2. E. Doni and G. Pastory Parravicini, Nuovo Cimento Soc. Ital. Fis B 64, 117 (1969).

    Article  ADS  Google Scholar 

  3. Y. Muramatsu, T. Kaneyoshi, E. M. Gullikson, et al., Spectrochim. Acta A 59, 1951 (2003).

    Article  ADS  Google Scholar 

  4. S. Yamamura, M. Takata, and M. Sakata, J. Phys. Chem. Solids 58, 177 (1997).

    Article  ADS  Google Scholar 

  5. V. L. Solozhenko, G. Will, and F. Elf, Solid State Commun. 96, 1 (1995).

    Article  ADS  Google Scholar 

  6. N. Ooi, V. Rajan, J. Gottlieb, et al., Mater. Sci. Eng. 14, 515 (2006).

    Google Scholar 

  7. M. Hubacek, M. Ueki, T. Sato, and V. Brozek, Thermochim. Acta 282–283, 359 (1996).

    Article  Google Scholar 

  8. V. L. Solozhenko and T. Peun, J. Phys. Chem. Solids 58, 1321 (1997).

    Article  ADS  Google Scholar 

  9. T. Wittkowski, V. Wiehn, J. Jorzick, et al., Thin Solid Films 368, 216 (2000).

    Article  ADS  Google Scholar 

  10. T. Kuzuba, Y. Sato, S. Yamaoka, et al., Phys. Rev. B 18, 4440 (1978).

    Article  ADS  Google Scholar 

  11. T. Wittkowski, J. Jorzick, and K. Jung, Thin Solid Films 353, 137 (1999).

    Article  ADS  Google Scholar 

  12. Li Song, Lijie Ci, Hao Lu, et al., Nano Lett. 10, 3209 (2010).

    Article  ADS  Google Scholar 

  13. Nag Angshuman, Kalyan Raidongia, and P. S. Kailash, ACS Nano 4, 1539 (2010).

    Article  Google Scholar 

  14. E. Hernandez and D. Sanchez-Portal, Proc. SPIE 5118, 366 (2003).

    Article  ADS  Google Scholar 

  15. D. Pacile, J. Meyer, C. O. Girit, et al., Appl. Phys. Lett. 92, 133107 (2008).

    Article  ADS  Google Scholar 

  16. C. G. Lee, Q. Li, W. Kalb, et al., Science 328, 76 (2010).

    Article  ADS  Google Scholar 

  17. C. R. Dean, A. F. Young, I. Meric, et al., Nature Nanotechnol. 5, 722 (2010).

    Article  ADS  Google Scholar 

  18. A. Nag, K. Raidongia, and K. P. S. S. Hembram, ACS Nano 4, 1539 (2010).

    Article  Google Scholar 

  19. A. Nagashima, N. Tejima, Y. Gamou, et al., Phys. Rev. Lett. 75, 3918 (1995).

    Article  ADS  Google Scholar 

  20. M. Corso, W. Auwarter, M. Muntwiler, et al., Science 303, 217 (2004).

    Article  ADS  Google Scholar 

  21. W. Auwarter, H. U. Suter, H. Sachdev, et al., Chem. Mater. 16, 343 (2004).

    Article  Google Scholar 

  22. Nasim Alem, Rolf Erni, Christian Kisielowski, et al., Phys. Rev. B 80, 155425 (2009).

    Article  ADS  Google Scholar 

  23. T. M. Schmidt, R. J. Baierle, P. Piquini, et al., Phys. Rev. B 67, 113407 (2003).

    Article  ADS  Google Scholar 

  24. P. Piquini, R. J. Baierle, T. M. Schmidt, et al., Nanotechnology 16, 827 (2005).

    Article  ADS  Google Scholar 

  25. H. F. Bettinger, T. Dumitrica, G. E. Scuseria, et al., Phys. Rev. B 65, 041406 (2002).

    Article  ADS  Google Scholar 

  26. Y. Miyamoto, A. Rubio, S. Berber, et al., Phys. Rev. B 69, 121413 (2004).

    Article  ADS  Google Scholar 

  27. T. Dumitrica, H. F. Bettinger, G. E. Scuseria, et al., Phys. Rev. B 68, 085412 (2003).

    Article  ADS  Google Scholar 

  28. A. Zobelli, C. P. Ewels, A. Gloter, et al., Nano Lett. 6, 1955 (2006).

    Article  ADS  Google Scholar 

  29. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).

    Article  MathSciNet  ADS  Google Scholar 

  30. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).

    Article  ADS  Google Scholar 

  31. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993).

    Article  ADS  Google Scholar 

  32. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).

    Article  ADS  Google Scholar 

  33. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).

    Article  ADS  Google Scholar 

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

    Article  MathSciNet  ADS  Google Scholar 

  35. Xiujie He, Tao He, Zhenhai Wang, et al., Physica E 42, 2451 (2010).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Siberian Federal University, Krasnoyarsk, 660028, Russia

    A. A. Kuzubov, M. V. Serzhantova & T. A. Kozhevnikova

  2. Siberian State Technological University, Krasnoyarsk, 660049, Russia

    A. A. Kuzubov & T. A. Kozhevnikova

  3. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russia

    A. A. Kuzubov, A. S. Fedorov, F. N. Tomilin & T. A. Kozhevnikova

  4. Siberian State Aerospace University, Krasnoyarsk, 660014, Russia

    M. V. Serzhantova

Authors
  1. A. A. Kuzubov
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  2. M. V. Serzhantova
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  3. A. S. Fedorov
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  4. F. N. Tomilin
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  5. T. A. Kozhevnikova
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Corresponding author

Correspondence to M. V. Serzhantova.

Additional information

Original Russian Text © A.A. Kuzubov, M.V. Serzhantova, A.S. Fedorov, F.N. Tomilin, T.A. Kozhevnikova, 2011, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2011, Vol. 93, No. 6, pp. 368–371.

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Kuzubov, A.A., Serzhantova, M.V., Fedorov, A.S. et al. Theoretical study of vacancies and adatoms in white graphene. Jetp Lett. 93, 335–338 (2011). https://doi.org/10.1134/S0021364011060051

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  • DOI: https://doi.org/10.1134/S0021364011060051

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