Affiliation:
1. Fuji Electric Co., Ltd.
2. The University of Tokyo
Abstract
We have developed a new interatomic potential of Si-O-C-N with newly added N for classical molecular dynamics simulation of NO annealing at 4H-SiC/SiO2 interface. By adjusting the potential parameters to reproduce the material properties obtained from first-principles calculations for various kinds of structures, the accuracy of the potential has improved well enough to reproduce the formation of Si3N termination at the 4H-SiC/SiO2 interface during NO annealing. We have also observed that the defects with C=C double bonds have been modified into C-N bonds, which is supposed to be the decomposition process of residual C atoms in the NO annealing of 4H-SiC/SiO2.
Publisher
Trans Tech Publications, Ltd.
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
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