Modification of mechanical, electronic and transport properties of AB-stacked bilayer hybrid armchair graphene nanoribbons: Concurrent influence of chemical derivation and uniaxial strain

Abstract

In this paper, we investigate the effect of chemical derivation and strain on the mechanical, electronic, and transport properties of AB-stacked bilayer hybrid AGNRs. The results show that the stresses as function of chemical derivation classes are remarkably changed with increasing of width under 10%. Moreover, the failure characteristics of all systems are found under about 11–13% strain. The systems derived by GA have the largest value of Young's modulus. The systems with width of 5 are semiconductors with wide band gap of 3.15 eV–3.81 eV within the strain range −10% to 10%. Interestingly, the 7-GA(FGA)NRs transform the semiconductor into metallic under sufficient tensile strain (over 8% strain). Especially, the 9-GANR may experience a direct gap→indrect gap transition at 8%. The p-orbital of C atoms in purity b-GNRs of edge parts is crucially contributed to the electronic properties near Fermi level. The I-V curve of 7-GANR system exhibits the semiconducting behavior with wide band gap under −8% strain, while for 8% it reveals metallic ones.