Energy gaps, magnetism, and electric-field effects in bilayer graphene nanoribbons

Abstract

Using a first-principles density-functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the layers. We assume AB (Bernal) stacking and consider both armchair and zigzag edges and two edge alignments distinguished by different ways of shifting the top layer with respect to the other. Armchair ribbons exhibit three classes of bilayer gaps which decrease with increasing ribbon width. An external electric field between the layers increases the gap in narrow ribbons and decreases the gap for wide ribbons, a property which can be understood semianalytically using a $\ensuremath{\pi}$-band tight-binding model and perturbation theory. The magnetic properties of zigzag edge ribbons are different for the two different edge alignments, and not robust for all exchange-correlation approximations considered. Bilayer ribbon gaps are sensitive to the presence or absence of magnetism.