Potential-tuned magnetic switches and half-metallicity transition in zigzag graphene nanoribbons (2305.10325v1)

Abstract: Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by breaking the local sublattice imbalance, though a bulk chiral spin-density-wave ground state is also reported at van Hove filling due to its perfectly nested Fermi surface. Here, combining of the first-principles and tight-binding model simulations, we predict a robust ferromagnetic domain lies between the inter-chain carbon atoms inside the zigzag graphene nanoribbons by applying a potential drop. We show that the effective zigzag edges provide the strong correlation background through narrowing the band width, while the internal Van Hove filling provides the strong ferromagnetic background inherited from the bulk. The induced ferromagnetism exhibit interesting switching effect when the nominal Van Hove filling crosses the intra- and inter-chain region by tuning the potential drops. We further observe a robust half-metallicity transition from one spin channel to another within the same magnetic phase. These novel properties provide promising ways to manipulate the spin degree of freedom in graphene nanostructures.