Spin-gapless and -gapped band structures of non-compensated bonding BN/Graphene bilayer

Abstract

Abstract Magnetized graphene is a promising candidate for spintronic devices, where half-semimetallic or -semiconducting property is highly desirable. Using first-principles calculations, we show that stable ferromagnetic ordering can exist readily in non-compensated bonding BN/graphene bilayer with triangular defects (TDs) by analogizing with bonding BN/BN bilayer observed in experiment. More intriguingly, regardless of the non-compensated defect states in the gap, such spin-polarized BN/graphene bilayer exhibits spin-gapless and -gapped semiconducting band structures with quadratic and linear dispersion, respectively, depending on the size of TDs. The massive or massless electronic states of bonding BN/graphene are associated with the electron localization degree at the zigzag edges of TDs. Our findings might provide another feasible strategy to realize stable magnetized graphene and engineer its electronic and magnetic features.