Electronic structures of vacancy defective chiral (6,2) SiC nanotubes

Articles

Electronic structures of vacancy defective chiral (6,2) SiC nanotubes [SCET 2017]
Author(s)
Kejian Li
ABSTRACT
Vacancy defects are common defects formed in the syntheses of silicon carbide nanotubes (SiCNTs) and seriously impact the electronic structures of the nanotube materials. With first principle calculations based on density functional theory (DFT), vacancy defective (6,2) SiCNTs are studied. Vacancies form fivefold and ninefold rings. Carbon vacancy introduces an occupied defect level near the top of the valence band and an unoccupied level in the conduction band. Three defect levels are found in the band gap of the nanotube with a silicon vacancy. These results are helpful for investigations on SiCNT devices and sensors.
KEYWORDS
Electronic structures, vacancy defective chiral (6,2), SiC nanotubes
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