Hostname: page-component-78c5997874-fbnjt Total loading time: 0 Render date: 2024-11-17T17:22:51.605Z Has data issue: false hasContentIssue false
  • English
  • Français

Tight-Binding Study of the {211} Σ=3 Grain Boundary in Cubic Silicon-Carbide

Published online by Cambridge University Press:  21 February 2011

M. Kohyama  and
R. Yamamoto
M. Kohyama
Affiliation:
Department of Material Physics, Osaka National Research Institute, AIST, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
R. Yamamoto
Affiliation:
Institute of Industrial Science, University of Tokyo, 7–22–1, Roppongi, Minato-ku, Tokyo 106, Japan.
Get access

Abstract

In grain boundaries in compound semiconductors such as SiC, the interface stoichiometry and the wrong bonds between like atoms are of much importance. Firstly, a general definition of the interface stoichiometry in such grain boundaries has been discussed. Secondly, the atomic and electronic structures of the {211} Σ=3 boundary in SiC have been examined by using the self-consistent tight-binding method, based on the atomic models with bonding networks similar to those in the models of the same boundary in Si or Ge. The wrong bonds have significant effects through the large electrostatic repulsion and the generation of localized states as well as those in the {122} Σ=9 boundary in SiC. And the different bond lengths of the wrong bonds very much affect the local bond distortions at the interfaces, which determines the relative stability among the present models.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 339: Symposium D – Diamond, Silicon Carbide and Nitride Wide Bandgap Semiconductors , 1994 , 9
Copyright
Copyright © Materials Research Society 1994

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. Kohyama, M., Kose, S., Kinoshita, M. and Yamamoto, R., J. Phys. Condens. Matter 2, 7809 (1990);Google Scholar
Kohyama, M., Kose, S. and Yamamoto, R., J. Phys. Condens. Matter 3, 7555 (1991).Google Scholar
2. Lambrecht, W.R.L. and Segal, B., Phys. Rev. B41, 2948 (1990);Google Scholar
Lambrecht, W.R.L., Lee, C.H., Methfessel, M., van Schilfgaarde, M., Amador, C. and Segali, B., in Defects in Materials, edited by Bristowe, P.D., Epperson, J.E., Griffith, J.E. and Liliental-Weber, Z., Mat. Res. Soc. Symp. Proc. Vol.209 (MRS, Pittsburgh, 1991), p. 667.Google Scholar
3. Bourret, A. and Bacmann, J.J., Surf. Sci. 162, 495 (1985).Google Scholar
4. Paxton, A.T. and Sutton, A. P., J. Phys. C21, L481 (1988).Google Scholar
5. Kohyama, M., Yamamoto, R., Watanabe, Y., Ebata, Y. and Kinoshita, M., J. Phys. C21, L695 (1988).Google Scholar
6. Kohyama, M., Kose, S., Kinoshita, M. and Yamamoto, R., J. Phys. Condens. Matter 2, 7791 (1990).Google Scholar
7. Chetty, N. and Martin, R.M., Phys. Rev. B44, 5568 (1991).Google Scholar
8. Pirouz, P. and Yang, J., in High Resolution Electron Microscopy of Defects in Materials, edited by Sinclair, R., Smith, D.J. and Dahmen, U., Mat. Res. Soc. Symp. Proc. Vol.183 (MRS, Pittsburgh, 1990), p. 173.Google Scholar
9. Holt, D.B., J. Phys. Chem. Solids 25, 1385 (1964).Google Scholar
10. Hiraga, K., Sci. Rep. Res. Inst. Tohoku Univ. A32, 1 (1984).Google Scholar
11. Pond, R.C., Bacon, D.J. and Bastaweesy, A.M., in Microscopy of Semiconducting Materials 1983, Inst. Phys. Conf. Ser. No.67 (IOP, Bristol, 1983), p. 253.Google Scholar
12. Papon, A.M. and Petit, M., Scripta Metall. 19, 391 (1985).Google Scholar
13. Martins, J.L. and Zunger, A., Phys. Rev. B30, 6217 (1984).Google Scholar