Authors

Silicon carbide (SiC) semiconductor device is expected to be used under a severe environment like the nuclear reactor and the space environment. However, an interfacial defect that originates in the SiC epitaxial layer defect or the structural change of the SiO2/SiC interface exists. On the semiconductor device interface, the microscopic electric charge state of the defect decides a macroscopic electric characteristic. To emulate interfacial structure on the computer the SiO2/SiC interface structure is gener-ated and the electronic geometry is decided by the first-principle molecular dynamics (MD) simulation with the earth simulator. The amorphous SiO2/SiC interface structure is made by medium-scale model of about 400 atoms. The heating temperature is 4000K, the heating time is 3.0ps, the speed of rapid cooling is-1000K/ps, and SiC movable layers in the interface are assumed to be 4 layers. In temperature 2200K the SiO2 terminal was opened to make the SiO2 layer more amorphous. The model has almost abrupt interface, however, some energy levels were still observed in the band gap. The defects energy levels are originat-ed from interfacial oxygen and the as localized electronic distribution of the dangling bond causes defect energy levels