Effect of strain on mechanical, electronic, and transport properties of hybrid armchair graphane/graphene/fluorographane nanoribbon

Abstract First-principles calculations with non-equilibrium Green’s function method are used to investigate the mechanical, electronic and transport properties of hybrid systems under strain. The calculated results reveal that the stresses of all systems are smaller than purity AGNR. The electronic properties of all systems are remarkably modulated according to strain and nanoroad. Moreover, the highest valence band of AGA3/G3/FGA3NR is gradually localized with increasing tensile strain and the system may produce direct-gap → indirect-gap transition at 16%. The calculated I-V curves show that the currents of hybrid systems formed by 1-, 3-nanoroad at -8% are more rapidly increased than other strains.