Correlated Topological States in Graphene Nanoribbon Heterostructures

Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J.; et al. Nature2018, 560, 204). These states may be localized either at the bulk edges or at the ends of the structure. Here we show that correlation effects (not included in previous density functional simulations) play a key role in these systems: they result in increased magnetic moments at the ribbon edges accompanied by a significant energy renormalization of the topological end states, even in the presence of a metallic substrate. Our computed results are in excellent agreement with the experiments. Furthermore, we discover a striking, novel mechanism that causes an energy splitting of the nonzero-energy topological end states for a weakly screened system. We predict that similar effects should be observable in other GNR heterostructures as well.