Simulation of H Behavior in p-GaN(Mg) at Elevated Temperatures


The behavior of H in p-GaN(Mg) at temperatures >400°C is modeled by using energies and vibration frequencies from density-functional theory to parameterize transport and reaction equations. Predictions agree semiquantitatively with experiment for the solubility, uptake, and release of the H when account is taken of a surface barrier.

This is a preview of subscription content, access via your institution.


  1. 1.

    S. J. Pearton, J. C. Zolper, R. J. Shul, and F. Ren, J. Appl. Phys., 86, 1 (1999).

    CAS  Article  Google Scholar 

  2. 2.

    S. Nakamura, N. Iwasa, M. Senoh, and T. Mukai, Jpn. J. Appl. Phys., 31, 1258 (1992).

    CAS  Article  Google Scholar 

  3. 3.

    J. Neugebauer and C. G. Van de Walle, Phys. Rev. Lett., 75, 4452 (1995).

    CAS  Article  Google Scholar 

  4. 4.

    A. F. Wright, Phys. Rev. B, 60, R5101 (1999).

    CAS  Article  Google Scholar 

  5. 5.

    W. Götz, N. M. Johnson, D. P. Bour, M. D. McCluskey, and E. E. Haller, Appl. Phys. Lett., 69, 3725 (1996).

    Article  Google Scholar 

  6. 6.

    C. Herring and N. M. Johnson, in Hydrogen in Semiconductors, edited by J. I. Pankove and N. M. Johnson (Academic, New York, 1991) pp.234–235.

    Google Scholar 

  7. 7.

    W. Götz, N. M. Johnson, J. Walker, D. P. Bour, and R. A. Street, Appl. Phys. Lett., 68, 667 (1996), and citations therein.

    Article  Google Scholar 

  8. 8.

    J. Phys. Chem. Ref. Data, Vol. 14, Suppl. 1, p.1002 (1985).

  9. 9.

    T. L. Hill, An Introduction to Statistical Thermodynamics (Dover, New York, 1986) pp.86–93.

    Google Scholar 

  10. 10.

    S. M. Myers, G. R. Caskey Jr., D. E. Rawl Jr., and R. D. Sisson Jr., Metall. Trans. A, 14, 2261 (1983).

    Article  Google Scholar 

  11. 11.

    F. C. Tompkins, Chemisorption of Gases on Metals (Academic, New York, 1978).

    Google Scholar 

  12. 12.

    R. Shekhar and K. F. Jensen, Surf. Sci., 381, L581 (1997).

    CAS  Article  Google Scholar 

  13. 13.

    S. Nakamura, T. Mukai, M. Senoh, and N. Iwasa, Jpn. J. Appl. Phys., 31, L139 (1992).

    CAS  Article  Google Scholar 

Download references

Author information



Corresponding author

Correspondence to S. M. Myers.

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Myers, S.M., Wright, A.F., Petersen, G.A. et al. Simulation of H Behavior in p-GaN(Mg) at Elevated Temperatures. MRS Online Proceedings Library 595, 94 (1999).

Download citation