Structural and electronic transport properties of a SiC chain encapsulated inside a SiC nanotube: first-principles study

Silicon carbide (SiC) chains and silicon carbide nanotubes (SiCNTs) have potential applications in more controllable nanoelectronic devices. Here a new hybrid nanostructure with encapsulation of a SiC chain inside a SiCNT is designed and studied.

Electronic Structure and Optical Properties of SiC Nanotube Material with Silicon Antisite Defect

Based on first-principle calculations, electronic structure and optical properties of a single-walled zigzag SiC nanotube with silicon antisite defect have been investigated. This defect results in the formation of a bump in the surface of the nanotube. No defect energy level is formed in its band gap, which is originated from the resonance between the defect level and conduction band resulting in the defect level entering its conduction band. The most primary dielectric peak in dielectric function parallel to the axis of the nanotube is depressed, while the first peak perpendicular to its axis is enhanced. These results are meaningful for investigations on SiCNT electronic and optical devices.