Density Functional Theory Study of Electronic Properties of SiC Nanotubes with Grain Boundaries

作者：Xue Shuwen; Zou Changwei^*

来源：Nanoscience and Nanotechnology Letters, 2015, 7(7): 578-580.

DOI：10.1166/nnl.2015.2004

• SiC
• Nanotube
• Grain Boundaries
• Density Functional Theory
• Defect
• Electronic Properties

Using density functional theory, the electronic properties of SiC nanotubes with grain boundaries (GBs) were investigated. Results show that the SiC nanotubes have semiconductor properties. GBs induce defect levels within the band gap. Charge density isosurface distribution shows that these defect levels are localized at the GBs. So GBs can be used to tune the electronic properties of SiC nanotubes, which should be useful for building nanoelectronic devices.

• 出版日期2015-7
• 单位岭南师范学院