Simulation of field electron emission of C and SiC nanotubes

Abstract

We study the field emission current density of carbon nanotubes and silicon carbide nanotube using first-principles methods. The simulation and analysis of the field emission are carried out based on density-functional theory using a hybrid functional B3LYP and 6-31g basis set for initial approximation. The structures considered are the ideally open (3, 0), (3, 3), (5, 5) nanotubes. Ideal models have been optimized in terms of the total energy, forming closed or deformed structures. Calculated field emission properties of individual nanotubes are compared.