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Molecular Dynamics Studies of Defect Motion in a-Si:H

Published online by Cambridge University Press:  16 February 2011

P. A. Fedders
P. A. Fedders*
Affiliation:
Department of Physics, Washington University, St. Louis, MO 63130
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Abstract

First principles molecular dynamics methods are used to study the motion of defects including dangling bonds and H. We study motion among H passivating dangling bonds, bond centered H, and tetrahedral H. We find that relaxation effects can reduce activation energies by up to one eV. Our studies also include the actual simulation of the time evolution of an a-Si:H system for several picosec. Here we observe the motion of a dangling bond over several hops and the motion of an H atom by means dangling bond exchange.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 336: Symposium A – Amorphous Silicon Technology - 1994 , 1994 , 213
Copyright
Copyright © Materials Research Society 1994

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References

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