C-324 シリコン表面におけるシラン分子解離過程の分子動力学解析

概要

論文の詳細を見る
The computational research has given a great contribution to the various material processes. However, the approaches generally have been limited to the fixed resolution of time and spaces, Recently we have developed the new method based on the multi-scale analysis that connects the thermofluid phenomena from the electron energy distribution to the macroscopic properties such as temperature and density. This multi-scale modeling is extended to the surface reaction here and the decomposition of SiH_4 molecule on Si(100) surface is analyzed in this study. As the first step of the research, the existent classical Si-H potential model is employed. The potential model proposed by M. V. Murty reproduces all the vibrational mode of SiH_4. The result of the classical molecular dynamics calculation shows that SiH_4 decomposes directly on Si surface before reaching the thermal equilibrium in a certain condition.
日本流体力学会の論文
2003-07-28