Development of accelerated quantum chemical calculation program and its application to silicon-based materials

摘要

Recent integration of LSI devices requires the extensive shrinkage of feature size of silicon-based semiconductor. We believe that the development of simulators that can design and predict thin-film formation processes and electronic properties of semiconductor enables further integration and progress of silicon-based devices. In this presentation, we will discuss the development and faster and more reliable quantum chemical calculation program and its application to the both basic and complicated systems. We also show the application of out method to the growth processes of silicon-based materials.