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Vacancy-Interstitial Pair-Formation Mechanism of X-Ray-Irradiation-Induced Crystallization in Amorphous Silicon Studied by ab initio Molecular Dynamics Simulation

Published online by Cambridge University Press:  15 February 2011

T. Matsumura ,
H. Katayama-Yoshida  and
N. Orita
T. Matsumura
Affiliation:
Department of Physics, Tohoku University, Sendai 980–77, Japan
H. Katayama-Yoshida
Affiliation:
Department of Physics, Tohoku University, Sendai 980–77, Japan PRESTO, Research Development Corporation of Japan (JRDC), Kawaguchi 332, Japan
N. Orita
Affiliation:
EIectrotechnical Laboratory, Tsukuba 305, Japan
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Abstract

We have studied the microscopic mechanism of the X-ray-irradiation-enhanced crystallization in amorphous silicon (a-Si) based upon an ab initio molecular-dynamics simulation. We find that the bistable dangling-bonds (sp3- and sp2-like structures) exhibit a large lattice relaxation and are strongly related to the X-ray-irradiation-induced vacancy-interstitial-pair formation. The vacancy-interstitial-pair formation reduces the formation energy of the vacancy to zero and enhances the crystallization with small migration energy of the vacancy. The crystallization rate in X-ray-irradiated a-Si is dominated by the migration energy of the vacancy in this mechanism because the formation energy is zero in X-ray-irradiated a-Si and one order of magnitude larger than the migration energy without X-ray irradiation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 377: Symposium A – Amorphous Silicon Technology 1995 , 1995 , 275
Copyright
Copyright © Materials Research Society 1995

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References

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