Article ID Journal Published Year Pages File Type
5382123 Chemical Physics Letters 2013 6 Pages PDF
Abstract

- 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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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