Oxygen doped SiC nanowires: An ab initio study

- DFT calculations are performed to study oxygen doped SiC NWs.
- The O is more stable (lower formation energy) in a carbon site.
- There is a trend for the impurities migrate to the surface of the NWs.
- The O impurity gives rise to electronic levels within the band gap of the SiC NWs.
- Magnetic moment for O saturating the surface of the NW.