Molecular dynamics simulations of solid-phase epitaxy of Si: Defect formation processes - art. no. 193314

We have investigated defect formation processes during solid-phase epitaxy of Si in the [001] direction based on molecular dynamics (MD) simulations u sing the Tersoff potential. Two different types of defect formation process es have been successfully observed in the MD simulations. They can be chara cterized by the structure of Si-Si dimer bonds created at the amorphous/cry stalline interface in the initial stage of the defect formation. In the fir st type, the Si-Si dimer bonds form coupled dimer lines and these coupled d imer lines lead to the creation of {111} stacking faults. In the second typ e, the Si-Si dimer bonds form a single dimer line which leads to the creati on of [111] twins.