Quantum magnetism of topologically-designed graphene nanoribbons

Abstract

Based on the Hubbard models, quantum magnetism of topologically-designed graphene nanoribbons (GNRs) is studied using exact numerical simulations. We first study a two-band Hubbard model describing the low-energy topological bands using the density matrix renormalization group (DMRG) and determinant quantum Monte Carlo (DQMC) methods. It is found the spin correlations decay quickly with distance, and the local moment is extrapolated to zero in the presence of symmetry-breaking terms. The results show that the two-band Hubbard chain is nonmagnetic, which is in contrast to the mean-field calculation predicting a critical interaction for the magnetic transition. We then include the Hubbard interaction to the topological-designed GNRs. For large interactions, the spin correlations remain finite for all distances, and the magnetic order develops. The local moment is extrapolated to almost zero for weak interactions, and begins to increase rapidly from a critical interaction. The estimated critical value is much larger than the realistic value in graphene, and we conclude the experimentally relevant GNRs are nonmagnetic, which is consistent with the experimental results.