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

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)99-104
Number of pages6
JournalUnknown Journal
Volume899
Publication statusPublished - 2005

Fingerprint

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

Cite this

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.

In: Unknown Journal, Vol. 899, 2005, p. 99-104.

Research output: Contribution to journalArticle

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. In: Unknown Journal. 2005 ; Vol. 899. pp. 99-104.
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