Interface States in SiO2/4H-SiC(0001) Interfaces from First-Principles: Effects of Si-Si Bonds and of Nitrogen Atom Termination

Author:

Ohnuma Toshiharu1,Tsuchida Hidekazu2,Jikimoto Tamotsu1,Miyashita Atsumi3,Yoshikawa Masahito3

Affiliation:

1. Central Research Institute of Electric Power Industry

2. Central Research Institute of Electric Power Industry (CRIEPI)

3. Japan Atomic Energy Agency JAEA

Abstract

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.

Publisher

Trans Tech Publications, Ltd.

Subject

Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science

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