Solid-Liquid Interface Structures and Defect Formation Processes in Crystal Growth from Melted Si

Abstract

We have investigated growth mechanisims and defect formation processes during crystallization from melted Si 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 the interface was essentially flat and the rate-limiting step was double-layered two-dimensional nucleation on the (111) surface which was fol-lowed by double-step lateral epitaxial growth. Defect formation was found to be initiated by a 5-membered ring created at the interface that gave rise to an interstitial-type defect resembling the ‹110› split interstitial.