Molecular dynamics studies of surface nucleation and crystal growth of SI on SIO2 substrates

Byoung Min Lee, Hong Koo Baik, T. Kuranaga, Shinji Munetoh, T. Motooka

研究成果: ジャーナルへの寄稿記事

抄録

Molecular dynamics (MD) simulations of atomistic processes of nucleation and crystal growth of silicon (Si) on SiO2 substrate have been performed using the Tersoff potential based on a combination of Langevin and Newton equations. A new set of potential parameters was used to calculate the interatomic forces of Si and oxygen (O) atoms. It was found that the (111) plane of the Si nuclei formed at the surface was predominantly parallel to the surface of MD cell. The values of surface energy for (100), (110), and (111) planes of Si at 77 K were calculated to be 2.27, 1.52, and 1.20 J/m2, respectively. This result suggests that, the nucleation leads to a preferred (111) orientation in the poly-Si thin film at the surface, driven by the lower surface energy.

元の言語英語
ページ(範囲)99-104
ページ数6
ジャーナルUnknown Journal
899
出版物ステータス出版済み - 2005

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Silicon
Crystallization
Crystal growth
nucleation
silicon
Molecular dynamics
Nucleation
crystal
substrate
Substrates
surface energy
Interfacial energy
preferred orientation
Oxygen
Thin films
Atoms
oxygen
Computer simulation
simulation

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials

これを引用

Molecular dynamics studies of surface nucleation and crystal growth of SI on SIO2 substrates. / Lee, Byoung Min; Baik, Hong Koo; Kuranaga, T.; Munetoh, Shinji; Motooka, T.

:: Unknown Journal, 巻 899, 2005, p. 99-104.

研究成果: ジャーナルへの寄稿記事

Lee, Byoung Min ; Baik, Hong Koo ; Kuranaga, T. ; Munetoh, Shinji ; Motooka, T. / Molecular dynamics studies of surface nucleation and crystal growth of SI on SIO2 substrates. :: Unknown Journal. 2005 ; 巻 899. pp. 99-104.
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