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Theory of Hydrogen Interactions with Amorphous Silicon

Published online by Cambridge University Press:  15 February 2011

Chris G. Van De Walle  and
Blair Tuttle
Chris G. Van De Walle
Affiliation:
Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304; vandewalle@ parc.xerox.com
Blair Tuttle
Affiliation:
Department of Physics, Computational Electronics Group, Beckman Institute, University of Illinois, Urbana, IL 61801
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Abstract

We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first- principles calculations. We review the current understanding regarding molecular hydrogen, and show that H2 molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≠ SiH2 complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 557: Symposium A – Amorphous and Heterogeneous Silicon Thin Films—Fundamentals to Devices—1999 , 1999 , 275
Copyright
Copyright © Materials Research Society 1999

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