Strain effect on the electronic and transport properties of monolayer hybrid zigzag graphene nanoribbon formed with graphane and fluorographane: Insight from first-principles calculations

摘要

We investigate the electronic and transport properties of hybrid ZGNRs under applied strain, which are formed by simultaneously substituting GANR's and FGANR's into both edge parts of ZGNRs, using density functional theory and nonequilibrium Green's function techniques. The calculated results reveal that all systems are structurally stable and their electronic and transport characteristics can be significantly modulated according to strain and nanoroad. In particular, the strain dependence of GA(3)/FGA(3) system experiences the semiconductor with wide direct band gap of about 1.37-3.62 eV. Importantly, the calculated I-V curves of GA(2)/ZG(2)/FGA(2) as a function of strain exhibit negative differential resistance.