Hostname: page-component-848d4c4894-x24gv Total loading time: 0 Render date: 2024-05-14T01:12:19.628Z Has data issue: false hasContentIssue false
  • English
  • Français

Stability, diffusion, and complex formation of beryllium in wurtzite GaN

Published online by Cambridge University Press:  17 March 2011

Sukit Limpijumnong ,
Chris G. Van de Walle  and
Jörg Neugebauer
Sukit Limpijumnong
Affiliation:
Xerox PARC, Palo Alto, CA 94304, U.S.A
Chris G. Van de Walle
Affiliation:
Xerox PARC, Palo Alto, CA 94304, U.S.A
Jörg Neugebauer
Affiliation:
Fritz-Haber-Institut, Berlin, Germany
Get access

Abstract

We have studied the properties of Be dopants in GaN using first principles calculations. Substitutional Be on a Ga site acts as an acceptor, but interstitial Be poses a potential problem because of its low formation energy and donor character. We study the diffusion of interstitial Be and find it to be highly anisotropic. We also study the formation of complexes between substitutional and interstitial Be, and between substitutional Be and hydrogen. We have calculated the Be-H vibrational modes to aid in experimental identification of such complexes.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 639: Symposium G – GaN and Related Alloys-2000 , 2000 , G4.3
Copyright
Copyright © Materials Research Society 2001

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Bour, D. P., Chung, H. F., Götz, W., Romano, L., Krusor, B. S., Hofstetter, D., Rudaz, S., Kuo, C. P., Ponce, F. A., Johnson, N. M., Craford, M. G., and Bringans, R. D., Mater. Res. Soc. Symp. Proc. 449, 509 (1997).Google Scholar
2. Götz, W., Kern, R. S., Chen, C. H., Liu, H., Steigerwald, D. A., and Fletcher, R. M., Mater. Sci. Engin. B 59, 211 (1999).Google Scholar
3. Bernardini, F., Fiorentini, V., and Bosin, A., Appl. Phys. Lett. 70, 2990 (1997).Google Scholar
4. Neugebauer, J. and Walle, C. G. Van de, J. Appl. Phys. 85, 3003 (1999).Google Scholar
5. Walle, C. G. Van de, Limpijumnong, S., and Neugebauer, J., “First-principles studies of beryllium doping of GaN”, submitted to Phys. Rev. B.Google Scholar
6. Neugebauer, J. and Walle, C. G. Van de, Phys. Rev. Lett. 75, 4452 (1995).Google Scholar
7. Götz, W., Johnson, N. M., Bour, D. P., McCluskey, M. D., and Haller, E. E., Appl. Phys. Lett. 69, 3725 (1996).Google Scholar
8. Goldstein, H., Classical Mechanics (Addison-Wesley, Philippines, 1980).Google Scholar
9. Walle, C. G. Van de, Phys. Rev. Lett. 80, 2177 (1998).Google Scholar
10. Johnson, B. G., Gill, P. M. W., and Pople, J. A., J. Chem. Phys. 98, 5612 (1993).Google Scholar