抄録
The thermo dynamical stability of a boron atom at the Si/SiO2 interface was studied by using ab initio calculation to investigate a mechanism of boron pile-up at the interface during thermal annealing. The B atom is stable in bulk Si site of the interface without any interface defect, which contradicts the experimental observations. By introducing an oxygen vacancy at the interface, the mechanism of B segregation into SiO2 layer at the atomic scale was verified.
