Accurate tight-binding models for the π bands of bilayer graphene

Jeil Jung, Allan H. MacDonald

Research output: Contribution to journalArticlepeer-review

107 Scopus citations

Abstract

We derive an ab initio π-band tight-binding model for AB stacked bilayer graphene based on maximally localized Wannier wave functions 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 π-band electronic properties by achieving accuracy over the full width of the π 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 confusion that exists in the literature concerning tight-binding model parameter signs.

Original languageEnglish
Article number035405
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume89
Issue number3
DOIs
StatePublished - 6 Jan 2014

Keywords

  • 31.15.aq
  • 71.15.Mb
  • 71.20.Gj
  • 73.22.Pr

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