Trial Application of Tight-Binding Method to Si-Cluster Surrounded by SiO2 in Optimized Atomistic Network: Si-Cluster Surrounded SiO2 is Quite Unique

A tight-binding method is applied to optimized Si-cluster surrounded by SiO
₂
. As a result, it is found that the energy band structure is quite different from that of Si-substrate. It is regarded that the band-gap is invaded from the conduction band by intrinsic interfacial states.