Materials Science Forum, Vol.483, 573-576, 2005
Interface states at the SiO2/4H-SiC(0001) interface from first-principles: Effects of Si-Si bonds and of nitrogen atom termination
First-principles calculations for the abrupt SiO2/4H-SiC interfaces accounting for Si-Si bonding and Nitrogen atom termination have been performed. Interface states due to Si-Si bonds appear at the valence band edge. Interface states at the midgap vanish when N atom terminates the Si dangling bond, but the interface states arising from the Si-N bonds appear at the valence band edge at the same time.