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Molecular Dynamics Investigations of Boron Doping in a-Si:H

Published online by Cambridge University Press:  15 February 2011

Peter A. Fedders  and
D. A. Drabold
Peter A. Fedders
Affiliation:
Department of Physics, Washington University, One Brookings Drive, St. Louis, MO 63130, paf@howdy.wustl.edu
D. A. Drabold
Affiliation:
Department of Physics and Astronomy and Condensed Matter and Surface Sciences Program, Ohio University, Athens, Ohio 45701–2979
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Abstract

The rather low doping efficiency of B in a-Si:H is almost always explained by the argument that almost all of the B is incorporated into three-fold coordinated sites and that B is inert or non-doping in this configuration. Using ab initio molecular dynamics, we have studied the energetics and doping (electronic structure) consequences of B incorporation into a-Si:H both with and without H passivation. Our results suggest that the conventional view is in error and that the low doping efficiency is primarily due to H passivation. These results are consistent with the low doping efficiency of B as well as NMR studies on the large electric field gradients experienced by the B atoms and on NMR double resonance studies of B-H neighboring distances.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 467: Symposium A – Amorphous and Microcrystalline Silicon Technology - 1997 , 1997 , 67
Copyright
Copyright © Materials Research Society 1997

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References

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