シリコン結晶成長の分子動力学シミュレーション(<小特集>高品質半導体結晶製造)

概要

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Molecular dynamics simulations have been performed to investigate growth mechanisims and defect formation processes during crystallization from melted Si and solid phase epitaxy (SPE) by using molecular dynamics simulations combined with the Tersoff potential. The melt growth in the [001] direction was rate-limited by a diffusion process of Si to be trapped at the kink sites associated with {111} facets formed at the solid/liquid Si interface, while in the [111] direction double-layered two-dimensional nucleation was first created and then followed by double-step layer-by-layer growth. In the case of SPE, layer-by-layer crystallization along the (111) plane was observed at higher temperatures, while at lower temperatures layer-by-layer crystallization occured along the (001) plane. Defect formation was found to be initiated by 5-membered rings created at the interfaces which gave rise to interstitials and {111} stacking faults in the melt and SPE growth, respectively.
日本シミュレーション学会の論文
2000-06-15