First-principles study of electronic properties of AB-stacked bilayer armchair graphene nanoribbons under out-plane strain.

In this work, we consider the effect of out-plane strain on the electronic properties of AB-stacked bilayer armchair graphene nanoribbons (BAGNRs) using density functional theory. At equilibrium, the interlayer distance of BAGNRs is d0=3.326<inline-graphic></inline-graphic> Å. Our DFT calculations show that while the dependence of the band gap of 11-BAGNR on interlayer distance <italic>d</italic> is insignificant, especially in the case of the d<d0<inline-graphic></inline-graphic>, the band gap of 9- and 10-BAGNRs depends strongly on the interlayer distance <italic>d</italic>. The effect of out-plane strain on band structure, total energy, and total charge density of BAGNRs is also investigated and discussed. [ABSTRACT FROM AUTHOR]