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，电子状态的磨料加工界面附近计算的第一性原理计算。在这些结果中，在二氧化硅磨料的情况下，其表面羟基有助于在抛光中的Si晶片的去除作用，当二氧化硅磨料接近Si晶片表面时，Si晶片的内部电子状态几乎相同。但是，氧化钡磨料在抛光过程中起固相反应的作用，会影响硅片内部电子态，尤其是第一层和第二层硅片。

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.