Rectifying behavior of inhomogeneous BCN alloy nanotubes

Abstract

Based on virtual crystal approximation, the electronic properties and rectifying behavior of inhomogeneous BCN alloy nanotubes are investigated using a first-principles study combined with the non-equilibrium Green's function method. Consistent with previous experimental reports, carbon atoms in the BCN alloy nanotubes can randomly replace boron and nitrogen atoms. Hence, the asymmetrical distribution of B, C, and N atoms could result in different charge transmissions under the applied forward and reverse bias voltages, and the I–V characteristics of these inhomogeneous alloy nanotubes exhibit a rectifying behavior. A BCN alloy nanotube exhibits a larger current when more B and N atoms are replaced by C atoms. Consequently, the current depends on the concentration of the carbon atoms. Based on these results, tuning the electronic properties and rectification ratio of inhomogeneous BCN alloy nanotubes with an asymmetrical random distribution of carbon atoms can be applied in the design of nanoelectronic devices.