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Structure and Properties of Inversion Domain Boundaries in β-Sic

Published online by Cambridge University Press:  25 February 2011

W. R. L. Lambrecht ,
C. H. Lee  and
B. Segall
W. R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
C. H. Lee
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
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Abstract

The structure of inversion domain boundaries in β-SiC (i.e. boundaries between domains with inverted Si and C positions) is investigated by means of a Keating model. For the (110) boundary, the relaxation of the C-C and Si-Si bonds towards the ideal bond lengths which occur in the diamond structure can basically be achieved by a rotation of neighboring Si-C bonds. For the (001) boundary, it is achieved by varying the spacing between the domains. The electronic properties and total energy of formation of the relaxed (110) boundary are studied by means of linear muffin-tin orbital calculations. The interface localized states in the semiconducting gap are mainly due to the Si-Si bonds and lead to a semimetallic situation near the interface.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 159: Symposium C – Atomic Scale Structure of Interfaces , 1989 , 377
Copyright
Copyright © Materials Research Society 1990

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References

REFERENCES

[1] Pond, R. C., in Dislocations and Properties of Real Materials, (London: Inst. Metals 1987), p. 71 Google Scholar
[2] Nishino, S., Powell, J. A., and Will, H. H., Appl. Phys. Lett. 42, 460 (1983)Google Scholar
[3] Pirouz, P., Chorey, C. M., and Powell, J. A., Appl. Phys. Lett. 50, 221 (1987); T. T. Cheng, P. Pirouz and F. Ernst, in Advances in Materials, Processingand Devices in III-V Compound Semiconductors, edited by D. K. Sadana, L. Eastman, and R. Dupuis, Mat. Res. Soc. Symp. Proc. Vol. 144, (MRS, Pittsburgh 1989), in press; P. Pirouz, in Polycrystalline Semiconductors, edited by J. H. Werner, H.J. Möller, and H. P. Strunk, Springer Proceedings in Physics, Vol. 35, (Springer, Berlin 1989), p. 200Google Scholar
[4] Powell, J. A., Matus, L. G., Kuczmarski, M. A., Chorey, C. M., Cheng, T. T., and Pirouz, P., Appl. Phys. Lett. 51, 823 (1987)Google Scholar
[5] Chadi, D. J., Phys. Rev. Lett. 59, 1691 (1987)Google Scholar
[6] Lambrecht, W. R. L., Segall, B. and Pirouz, P., in Thin Films: Stresses and Mechanical Properties, edited by Bravman, J. C., Nix, W. D., Barnett, D. M. and Smith, D. A., Mat. Res. Soc. Symp. Proc. Vol. 130, (MRS, Pittsburgh, 1989), p. 199 Google Scholar
[7] Keating, P. N., Phys. Rev. 145, 637 (1966)Google Scholar
[8] Martin, R. M., Phys. Rev. B 1, 4005 (1970)Google Scholar
[9] Lambrecht, W. R. L. and Segall, B., Phys. Rev. B 40 (1989), to be publishedGoogle Scholar
[10] Andersen, O. K., Phys. Rev. B 12, 3060 (1975); O. K. Andersen, O. Jepsen, and M. Sob, in Electronic Band Structure and its Applications, edited by M. Yussouff, (Springer, Heidelberg, 1987)Google Scholar
[11] Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965); for a recent review see e.g. W. Kohn in Highlights of Condensed-Matter Theory, Enrico-Fermi School of Physics, Course LXXXIX, edited by F. Bassani, F. Fumi and M. P. Tosi (North-Holland, Amsterdam 1985), p. 1Google Scholar
[12] Landolt-Börnstein Numerical Data an Functional Relationships in Science and Technology, New Series, Edited by Madelung, O. (Springer, Berlin 1982) Vol. 17 aGoogle Scholar
[13] Broyden, C. G., Math. Comput. 19, 577 (1965); D. D. Johnson, Phys. Rev. B 38, 12807 (1988); D. Vanderbilt and S. G. Louie, Phys. Rev. B 30, 6118 (1984)Google Scholar
[14] Lambrecht, W. R. L., Segall, B. and Andersen, O. K., Phys. Rev. B 40 (1989), to be publishedGoogle Scholar