The core structure and growth process of stacking-fault tetrahedron in Si film growth were investigated, by adopting the Cl-adsorbed Si(111) surfaces and using molecular dynamics simulation based upon empirical interatomic interactions. It was shown that most Cl atoms on the substrate diffused onto the surface and the defects barely appeared. However, when more than one Cl atoms aggregated on the Si(111) substrate, the dome structure of Si atoms covering the Cl atoms was produced and it grew into a stacking-fault tetrahedron. These theoretical results were in agreement with recent observations.

Theoretical Study of Generation and Atomic Structures of Stacking-Fault Tetrahedra in Si Film Growth. R.Kobayashi, T.Nakayama: Thin Solid Films, 2004, 464-465, 90-4