The first principle electronic states calculation of an mechanochem i ca I reaction for ultra-smoothing and applying to a development of processing tecnique

在这项研究中，用第一性原理计算了磨料-工作界面邻域的电子态。在这些结果中，对于表面羟基有助于硅片在抛光中的去除作用的二氧化硅磨料，当二氧化硅磨料接近硅片表面时，硅片的内部电子态几乎相同。但是，在硅片，特别是硅片的第一层和第二层的内部电子态的抛光中，充当固相反应的氧化钡磨料。

In this study, the electronic state of an abrasive-work interface neighborhood was calculated by a first principles calculation. In these results, in case of Silica abrasives which the surface hydroxyl contribute the removal action of the Si wafer in a polish, the internal electronic states of the Si wafer were almost same when Silica abrasives were approaching to Si wafer surface. But, Barium oxide abrasives which act as the solid phase reaction in a polish, internal electronic states of the Si wafer, especially the first and second layer of Si wafer.