| Autor: |
Ohnuma, Toshiharu, Miyashita, Atsumi, Iwasawa, Misako, Yoshikawa, Masahito, Tsuchida, Hidekazu |
| Zdroj: |
Materials Science Forum; September 2008, Vol. 600 Issue: 1 p591-596, 6p |
| Abstrakt: |
We perform a dynamical simulation of the SiO2/4H-SiC C-face interface oxidation process at 2500K using first-principles molecular dynamics based on plane waves, supercells, and the projector-augmented wave method. The slab model is used for the simulation. Oxygen molecules are dissociated in the SiO2 layers or by Si atoms at the SiO2 interface. The O atoms of the O2 molecule oxidize the C atoms at the SiC interface and form Si-C-O or CO2-C complexes. COx (x=1 or 2) molecules are desorbed from these complexes by thermal motion. COx molecules diffuse in the SiO2 layers when they do not react with dangling bonds. COx molecule formed during C-face oxidation more easily diffuse than those formed during Si-face oxidation in the interface region. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
|
