Accurate tight-binding and continuum models for the ππ bands of bilayer graphene

preprint2013arXivOpen access

Abstract

We derive an {\em ab initio} ππ-band tight-binding model for ABAB stacked bilayer graphene based on maximally localized Wannier wave functions (MLWFs) centered on the carbon sites, finding that both intralayer and interlayer hopping is longer in range than assumed in commonly used phenomenological tight-binding models. Starting from this full tight-binding model, we derive two effective models that are intended to provide a convenient starting point for theories of ππ-band electronic properties by achieving accuracy over the full width of the ππ-bands, and especially at the Dirac points, in models with a relatively small number of hopping parameters. The simplified models are then compared with phenomenological Slonczewski-Weiss-McClure type tight-binding models in an effort to clarify confusions that exists in the literature concerning tight-binding model parameter signs.

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