Hostname: page-component-745bb68f8f-d8cs5 Total loading time: 0 Render date: 2025-01-30T00:05:04.030Z Has data issue: false hasContentIssue false
  • English
  • Français

Molecular-Dynamics Simulations of Hydrogenated Amorphous Silicon Thin-Film Growth

Published online by Cambridge University Press:  10 February 2011

T. Ohira ,
O. Ukai ,
M. Noda ,
Y. Takeuchi ,
M. Murata  and
H. Yoshida
T. Ohira
Affiliation:
Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd., Yokohama, 236, Japan, ohira@atrc.mhi.co.jp
O. Ukai
Affiliation:
Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd., Yokohama, 236, Japan, ohira@atrc.mhi.co.jp
M. Noda
Affiliation:
Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd., Yokohama, 236, Japan, ohira@atrc.mhi.co.jp
Y. Takeuchi
Affiliation:
Nagasaki Research & Development Center, Mitsubishi Heavy Industries, Ltd., Nagasaki 851-03, Japan
M. Murata
Affiliation:
Nagasaki Research & Development Center, Mitsubishi Heavy Industries, Ltd., Nagasaki 851-03, Japan
H. Yoshida
Affiliation:
Nagasaki Research & Development Center, Mitsubishi Heavy Industries, Ltd., Nagasaki 851-03, Japan
Get access

Abstract

We have performed molecular-dynamics (MD) simulations of hydrogenated amorphous silicon (a-Si:H) thin-film growth using realistic many-body semiclassical potentials developed to describe Si-H interactions. In our MD model, it was assumed that SiH3, SiH2 and the H radicals are main precursors for the thin-film growth. In MD simulations of a-Si:H thin-film growth by many significant precursor SiH3 radicals, we have evaluated average radical migration distances, defect ratios, hydrogen contents, and film growth rates as a function of different incident radical energies to know the effect of the radical energization on the properties. As a result of the comparison between the numerical and experimental results, it was observed that the agreement is fairly good, and that an increase of radical migration distance due to the radical energization is effective on a- Si:H thin-film growth with a low defect.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 445
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Spear, W. E. and LeComber, P.G., Solid State Commun. 17, 1193(1975).Google Scholar
2. Tanaka, K. and Matsuda, A., Mater. Sci. Rep. 2, 139(1987).Google Scholar
3. Gleason, K. K., Wang, K. S., Chen, M. K., and Reimer, J. A., J. Appl. Phys. 61, 2866(1987).Google Scholar
4. McCaughey, M. J. and Kushner, M. J., J. Appl. Phys. 65, 186(1989).Google Scholar
5. Brenner, D.W., Robertson, D.H., Carty, R.J., Srivastava, D. and Garrison, B.J., Mat. Res. Soc.Symp. Proc. 278, 255(1992).Google Scholar
6. Tersoff, J., Phys. Rev. Lett. 56, 632(1986); Phys. Rev. B37, 6991(1988); 39, 5566(1989).Google Scholar
7. Brenner, D. W., Mat. Res. Soc. Symp. Proc. 141, 59(1989); Phys. Rev. B 42, 9458(1990).Google Scholar
8. Ohira, T., Inamuro, T. and Adachi, T., Sol. Energy Mater. Sol. Cells 34, 565(1994).Google Scholar
9. Ohira, T., Inamuro, T. and Adachi, T., MRS Symp. Proc. 336, 177(1994).Google Scholar
10. Jeffery, F.R., Shanks, H.R., and Danielson, G.C., J. Appl. Phys. 50, 7034(1979).Google Scholar
11. Itabashi, N., Nishiwaki, N., Magane, M., Naito, S., Goto, T., Matsuda, A., Yamnada, C. and Hirota, E., Jpn. J. Appl. Phys. 29, L505(1990).Google Scholar
12. Nishio, H., Ganguly, G. and Matsuda, A., MRS Symp. Proc. 297, 91(1993).Google Scholar
13. Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F., DiNola, A. and Haak, J.R., J.Chem. Phys. 81, 3684(1984).Google Scholar
14. Verlet, L., Phys. Rev. 159, 98(1967).Google Scholar
15. Ohira, T., Ukai, O., Adachi, T., Takeuchi, Y., and Murata, M., Phys. Rev. B 52, 8283(1995).Google Scholar
16. Ganguly, G., Nishio, H. and Matsuda, A., Appl. Phys. Lett. 64, 3581(1994).Google Scholar
17. Shirafuji, T., Chen, W., Yamamuka, M. and Tachibana, K., Jpn. J. Appl. Phys. 32, 4946(1993).Google Scholar
18. Menelle, A., Ph.D. thesis, Universite Pierre Marie Curie (Paris VI), 1987.Google Scholar