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Local Structural Changes Around Charged Dangling Bonds

Published online by Cambridge University Press:  10 February 2011

R. Biswas  and
Qiming Li
R. Biswas
Affiliation:
Department of Physics and Astronomy and Microelectronics Research Center, Iowa State University, Ames, IA 50011
Qiming Li
Affiliation:
Department of Physics and Astronomy and Microelectronics Research Center, Iowa State University, Ames, IA 50011
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Abstract

Tight-binding total energy calculations are used to describe the changes in local structure following either electron or hole capture by a neutral dangling bond in computer generated a-Si:H models. After the change in charge state, the structure is allowed to relax by a steepest descent energy minimization procedure. Generally the local bond angles increase (decrease) rapidly by 3- 100 in transitions from the D0 to the D+ (D-) configurations. The displacement of nearest neighbor atoms and nearby H atoms is large (more than 0.2 Å), but displacement of distant atoms is generally much smaller. Calculated optical transition levels have the D- level below D0 and the D+ level above D0. The fast relaxation of the charged defect configurations suggest a smooth energy surface for the relaxation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 420: Symposium A – Amorphous Silicon Technology-1996 , 1996 , 673
Copyright
Copyright © Materials Research Society 1996

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References

[1] Cohen, J.D., Leen, T.M., and Rasmussen, R.J., Phys. Rev. Lett. 69, 3358 (1992).Google Scholar
[2] Cohen, J.D., Leen, T.M., Zhong, F. and Rasmussen, R.J., MRS Proc. 297, 183 (1993).Google Scholar
[3] Carlen, M.W., Salamon, S.J., Xu, Y. and Crandall, R.S., Phys. Rev. B 51, 2173 (1995).Google Scholar
[4] Crandall, R.S., Carlen, M.W., J. Non-Cryst. Solids 190, 133 (1995).Google Scholar
[5] Branz, H.M. and Fedders, P.A., MRS Proc. 336, 129 (1994); and P.A. Fedders and H.M. Branz, J. Non-Crys. Solids 190, 142 (1995).Google Scholar
[6] Li, Q. and Biswas, R., Phys. Rev. B 50, 18090 (1994).Google Scholar
[7] Li, Q. and Biswas, R., Phys. Rev. B 52, 10705 (1995).Google Scholar
[8] Branz, H.M and Schiff, E.A., Phys. Rev. B 48, 8667 (1993).Google Scholar