Skip to main content
SpringerLink
Log in

Semiempirical studies of the electronic structure of aluminophosphide and Haeckelite boronitride nanotubes

  • Chemical Physics of Nanomaterials
  • Published:
Russian Journal of Physical Chemistry B Aims and scope Submit manuscript

Abstract

The paper presents the results of semiempirical quantum-chemical calculations of the electron energy characteristics of Haeckelite boronitride nanotubes (n, n)-BN468 (n = 3, ..., 14), (n, n)-BN48 (n = 3, ..., 11), and (n, n)-BN57 (n = 4, 5, 6). The nanotubes were found to be dielectrics with forbidden band widths from 5.5 to 8 eV. The forbidden band energy of the nanotubes increased as their diameter grew. The influence of substitution defects on the physical properties of Haeckelite boronitride nanotubes was studied for the example of the carbon atom.

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

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. P. Harris, Carbon Nanotubes and Related Structures. New Matherials for the Twenty-First Century (Cambridge Univ., New York, 1999; Tekhnosfera, Moscow, 2003).

    Book  Google Scholar 

  2. H. Terrones, M. Terrones, E. Hernandez, et al., Phys. Rev. Lett. 84, 1716 (2000).

    Article  CAS  Google Scholar 

  3. A. A. Katsnel’son, V. S. Stepanyuk, O. V. Farberovich, and A. Sas, Electronic Theory of Condensed Media (Mosc. Gos. Univ., Moscow, 1990) [in Russian].

    Google Scholar 

  4. Ph. Lambin and L. P. Biro, New J. Phys. 5, 141 (2003).

    Article  Google Scholar 

  5. X. Rocquefelte, G.-M. Rignanese, and V. Meunier, NanoLett. 4, 805 (2004).

    CAS  Google Scholar 

  6. S. V. Lisenkov, G. A. Vinogradov, T. Yu. Astakhova, and N. G. Lebedev, Pis’ma Zh. Eksp. Teor. Fiz. 81, 431 (2005) [JETP Lett. 81, 346 (2005)].

    Google Scholar 

  7. S. V. Lisenkov, G. A. Vinogradov, T. Yu. Astakhova, and N. G. Lebedev, Fiz. Tverd. Tela 48, 179 (2006) [Phys. Solid State 48, 192 (2006)].

    Google Scholar 

  8. N. F. Stepanov, Quantum Mechanics and Quantum Chemistry (Mir, Moscow, 2001) [in Russian].

    Google Scholar 

  9. S. V. Lisenkov, G. A. Vinogradov, and N. G. Lebedev, Pis’ma Zh. Eksp. Teor. Fiz. 81(4), 222 (2005) [JETP Lett. 81, 185 (2005)].

    Google Scholar 

  10. S. S. Mitra and N. E. Massa, Handbook on Semiconductors (North-Holland, Amsterdam, 1982).

    Google Scholar 

  11. M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc. 99, 4899 (1977).

    Article  CAS  Google Scholar 

  12. J. J. P. Stewart, J. Comput. Chem. 10, 209 (1989).

    Article  CAS  Google Scholar 

  13. O. Madelung, Introduction to Solid State Theory (Springer, Berlin, 1978; Nauka, Moscow, 1980).

    Google Scholar 

  14. M. Menon and D. Srivastava, Chem. Phys. Lett. 307, 407 (1999).

    Article  CAS  Google Scholar 

  15. S. M. Lee, Y. H. Lee, Y. G. Hwang, et al., Phys. Rev. B 60, 7788 (1999).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Volgograd State University, Vtoraya Prodol’naya ul. 30, Volgograd, 400062, Russia

    N. G. Lebedev

Authors
  1. N. G. Lebedev
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to N. G. Lebedev.

Additional information

Original Russian Text © N.G. Lebedev, 2010, published in Khimicheskaya Fizika, 2010, Vol. 29, No. 1, pp. 86–93.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Lebedev, N.G. Semiempirical studies of the electronic structure of aluminophosphide and Haeckelite boronitride nanotubes. Russ. J. Phys. Chem. B 4, 143–150 (2010). https://doi.org/10.1134/S1990793110010215

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1990793110010215

Keywords

Search

Navigation