Spin-Dependence in Asymmetric, V-Shaped-Notched Graphene Nanoribbons

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An extended tight-binding (TB) model that includes up to third-nearest-neighbour hoppings and a mean-field Hubbard U interaction is used within the Landauer formalism to model the spin-dependent properties of a small zig-zag-edged graphene nanoribbon with a V-shaped notch. The TB calculation for this system is shown to accurately reproduce ab initio transport results obtained using the local spin-density approximation. The TB transport model is then applied to a larger V-shaped notched graphene nanoribbon that is beyond computational efficiency for ab initio transport calculations. In both cases, the TB model predicts well-defined spin-dependent properties.

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