Ab initio simulations of higher Miller index Si:SiO2 interfaces for fin field effect transistor and nanowire transistors
Models of three representative higher Miller index interfaces, Si(310):SiO2, Si(410):SiO2, and Si(331):SiO2, have been built by an ab initio molecular dynamics method. We show that each interface can be made as a fully bonded network without any defects and has a reasonable electronic structure for use in fin field effect transistors or gate all around nanowire devices. The differences in numbers of oxygen bridges are attributed to the intermediate sub oxide components and the atomic step structure. The interface bonding schemes to passivate different densities of dangling bonds on different facets are also analyzed.