分子動力学法によるMBE結晶成長シミュレーション

抄録

Recent works on the molecular-dynamics simulations for the molecular-beam epitaxy (MBE) for the Lennard-Jones and silicon systems are reviewed. The information about the dynamics of the MBE process in the atomistic scale is very hard to obtain by experiments and therefore the molecular-dynamics simulation plays a crucial role in this regard. As for the Lennard-Jones systems, discussions are made on the dependences of the MBE growth pattern on the crystal face of the substrate surface, the substrate temperature and the size mismatch between the incident and substrate atoms. In particular, it is demonstrated that the growth pattern changes systematically as the size mismatch changes. In contrast to these successful model calculations, a realistic simulation for Si has some unsolved problems.