Electronic and transport properties of armchair graphene nanoribbons with defects

Abstract

Density-functional theory (DFT) in combination with the nonequilibrium Green’s function formalism is performed to study the electronic and transport properties of armchair graphene nanoribbons with defects. The results show that the electronic and transport properties vary with different type of defects. The binding energy indicate that single-defect AGNRs are the most stable structure and line-defect AGNRs are the most unstable structure. The transmission spectra show that the defective AGNRs become disorder and the value decreases. The energy gap at the Fermi level become wider. These results would guide the experiments in real applications.