Molecular dynamics simulation of microcrystalline Si deposition processes by silane plasmas |
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Authors: | Masaaki Matsukuma Satoshi Hamaguchi |
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Affiliation: | Center for Atomic and Molecular Technologies, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan |
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Abstract: | Molecular dynamics (MD) simulations have been performed to examine enhanced surface diffusion of Si adatoms during silane(SiH4)-based plasma enhanced chemical vapor deposition (PECVD) processes. Such high surface diffusion, if it actually takes place, has been known to account for the growth of microcrystalline silicon(μc-Si) in the PECVD process. Focused in the present study is the motion of a silicon (Si) adatom on a hydrogenated Si surface and the surface diffusion coefficient of Si adatoms on the fully hydrogenated (111) Si surface at 600 K was evaluated from MD simulations. The obtained diffusion coefficient is much larger than those of typical clean Si surfaces known in the literature. The interatomic potential functions for Si-H systems used for the simulations, which we have developed for this study based on ab initio calculations of the interatomic energies, are also presented. |
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Keywords: | MD simulation Microcrystalline silicon Surface diffusion PECDV |
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