CVD における量子化学反応素過程(<小特集> エピタキシャル成長の量子論)

抄録

Elementary processes of gas phase reaction in MOCVD and ALE were analyzed by using ab initio molecular orbital calculations. It was shown that the hydrogen molecules, which were often used as carrier gas, easily react with group-III source materials. It was also shown that the reaction of H radical and trimethylaluminum is zero energe process: H radicals were shown to be produced through thermal decomposition of group- V hydride source materials. These results mean that hydrogen molecules and atoms play an important role in quality control of the epitaxial layers. The surface reconstruction and electronic states are also discussed based on the cluster model.