Papers by Keyword: Antisite Defects

Abstract: Antisite defects are common defects in nanotube materials and have seriously impacts on their electronic properties. Based on density-functional theory calculations, the electronic structures of the antisite defective chiral (6, 2) SiCNTs are investigated. C antisite and Si antisite lead to the formation of a depression and a bump in the surface of the nanotube, respectively. In the band gap of the SiCNT with a C antisite defect, the occupied level near the top of the valence band is formed, while the unoccupied level originating from the Si antisite defect enters the conduction band of the SiCNT.

Abstract: The electronic transport properties are the basis for investigations on silicon carbide nanotube (SiCNT), which are suitable to develop novel nanometer electronic devices. The electronic transport properties of Single-Walled (8, 0) SiCNTs with antisite defects are investigated with the method combined Non-Equilibrium Green’s function with density functional theory. Results show that the similarity on electronic transport properties of the nanotube with different defects is high. Under a bias value greater than 1.0 V, a nearly exponential relationship between the bias and the current is achieved, which originates from more orbital participating in its transport properties caused by the increase of the bias.