Skip to main content
SpringerLink
Log in

Electronic Structure of a Nitrogen Vacancy in Cubic Gallium Nitride

  • Articles
  • Published:
MRS Online Proceedings Library Aims and scope

Abstract

A nitrogen vacancy in zinc-blende structure gallium nitride (c-GaN) is investigated by the plane-wave pseudopotential (PWPP) and tight binding-linear combination of muffin tin orbitals (TB-LMTO) methods using 32- and 64- atom supercells. The relaxation of the nearest Ga atom to the vacancy site is found to be inward by 0.069 a.u., with a relaxation energy of 0.04 eV/N-atom vacancy. The shell-projected, total and partial densities of states and the charge density maps are obtained to provide detailed information on energy and spatial localization of the N vacancy states.

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. U. Scherz and M. Scheffler, in Semiconductors and Semimetals, vol. 38, E. R. Weber ed. (Academic Press, New York 1993), p. 1; L. Pavesi and P. Giannozzi, Phys. Rev. B 46, 4621 (1992).

    Article  CAS  Google Scholar 

  2. I. Akasaki, H. Amano, N. Koide, M. Kotaki, and K. Manabe, Physica B, 185, p.428 (1993).

    Article  CAS  Google Scholar 

  3. S. Nakamura, T. Mukai, and M. Senoh, Appl. Phys. Lett., 64, p.1687 (1994).

    Article  CAS  Google Scholar 

  4. H. P. Maruska and J. J. Tietjen, Appl. Phys. Lett., 15, p.327 (1969).

    Article  Google Scholar 

  5. M. Nagahara, S. Miyoshi, H. Yaguchi, K. Onabe, Y. Shiraki, and R. Ito, J. Crystal Growth, 145, p.1971 (1994).

    Article  Google Scholar 

  6. A. F. Wright and J. S. Nelson, Phys. Rev. B50, p. 2159 (1994).

  7. M. van Schilfgaarde, T. A. Paxton, O. Jepsen, and O. K. Anderson, TB-LMTO program-Version 44, Max Plank Institute for Solid State Physics, 1994.

    Article  Google Scholar 

  8. D. M. Ceperley and B. J. Aider, Phys. Rev. Lett.,45, p.556 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B23, p.5048 (1981).

    Article  Google Scholar 

  9. K. Hedin and B. I. Lundqvist, J. Phys. C, 4, p.2064 (1971).

    Article  Google Scholar 

  10. T. Leim, T. D. Moustakas, R. J. Graham, Y. He, and S. Berkowitz, J. Appl. Phys., 71, p.4933 (1992).

    Chapter  Google Scholar 

  11. A. F. Wright and J. S. Nelson, in Physics and Simulation of Optoelectronic Devices III, eds. M. Osinski, and W. W. Chow (The international Society for Optical Engineering, 2399, Bellingham, WA, 1995), p.498.

  12. V. A. Gubanov, A. F. Wright, J. S. Nelson, C. Y. Fong, and Barry M. Klein, (to be published).

    Google Scholar 

  13. J. Neugebauer and C. G. van de Walle, in Diamond, SiC and Nitride Wide-Bandgap Semiconductor, eds. C. H. Carter Jr., G. Gildenblat, S. Nakamura, J. Nemanich, (MRS Symposia Proceedings, 339, Pittsburgh, Pennsylvania, 1995), p.687.

    Article  CAS  Google Scholar 

  14. P. Perlin, T. Suski, H. Teisseyre, M. Leszczynski, I. Grzegory, J. Jun, S. Porowski, P. Boguslawski, J. Berholc, J. C. Chervin, A. Polian, and T. D. Moustakas, Phys. Rev. Lett., 75, 296(1995).

  15. C. Wetzel, W. Walukiewicz, E. E. Haller, J. W. Ager, A. Chen, S. Fisher, P. Y. Yu, R. Jeanloz, I. Grzegory, S. Porowski, T. Suski, H, Amano, and I. Akasaki, proc. 18th Int. Conf. on Defects in Semiconductors, July 24–28, Sendai, japan, 1995.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physics Department, San Jose State University, San Jose, CA, USA

    V.A. Gubanov

  2. Sandia National Laboratories, Albuquerque, NM, USA

    A.F. Wright & J.S. Nelson

  3. Department of Physics, University of California, Davis, CA, USA

    C.Y. Fong & B. M. Klein

Authors
  1. V.A. Gubanov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A.F. Wright
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. J.S. Nelson
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. C.Y. Fong
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. B. M. Klein
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to V.A. Gubanov.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Gubanov, V., Wright, A., Nelson, J. et al. Electronic Structure of a Nitrogen Vacancy in Cubic Gallium Nitride. MRS Online Proceedings Library 395, 509–514 (1995). https://doi.org/10.1557/PROC-395-509

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1557/PROC-395-509

Search

Navigation