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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
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
Copyright
Copyright © Materials Research Society 1995

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References

1. Sato, F., Goto, K., Chikawa, J., Jpn. J. Appl. Phys. 30, L205 (1991).CrossRefGoogle Scholar
2. Car, R. and Parrinello, M., Phys. Rev. Lett. 55, 2471 (1985);CrossRefGoogle Scholar
Car, R. and Parrinello, M., Phys. Rev. Lett. 60, 204 (1988).CrossRefGoogle Scholar
3. Perdew, J. P. and Zunger, A., Phys. Rev. B, 23, 5048 (1981).CrossRefGoogle Scholar
4. Kleinman, L. and Bylander, D. M., Phys. Rev. Lett. 48, 1425 (1982).CrossRefGoogle Scholar
5. Menelle, A., Ph.D. Thesis, University of Paris VI, 1987 p. 85;Google Scholar
Kugler, S. et al, Phys. Rev. B, 40, 8030 (1989).CrossRefGoogle Scholar
6. Orita, N., Sasaki, T. and Katayama-Yoshida, H., MRS Symposium Proceedings 297, 171 (1993).CrossRefGoogle Scholar
7. Chadi, D. J. and Chang, K. J., Phys. Rev. Lett. 60, 2187 (1988).CrossRefGoogle Scholar
8. Orita, N., Matsumura, T., and Katayama-Yoshida, H., unpublished paper.Google Scholar
9. Bar-Yam, Y. and Joannopoulos, J., Phys. Rev. Lett. 56, 2203 (1986).CrossRefGoogle Scholar

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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
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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
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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
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