ナノスケールにおける異種材界面上のミスフィット転位周りの応力場評価

抄録

Thin crystal layer with nanoscale thickness is used in many electronic devices. Misfit dislocations are caused between dissimilar crystal layers spontaneously, and defects often occur from these misfit dislocations. It is useful to simulate these defects to protect the occurring of these defects. We evaluated the stress field along the interface between Si_0.75Ge_0.25 and Si using the molecular dynamics with MEAM potential. Similar singular stress fields around misfit dislocations were observed along the interface between Si0.75Ge0.25 and Si by the molecular dynamics, the molecular statics and the anisotropic elastic simulation. The molecular statics did not consider the thermal stress, but the influence of thermal stress is much smaller than the stress caused by the lattice mismatch. In this study, the molecular dynamics could not simulate the defects occurring from the misfit dislocations.