2002Physical review. B, Condensed matterRequires access

Tight-binding description of graphene

Stephanie Reich, Janina Maultzsch, C. Thomsen, Pablo Ordejón

Open publisher page 1,104 citations

Abstract

We investigate the tight-binding approximation for the dispersion of the $\ensuremath{\pi}$ and ${\ensuremath{\pi}}^{*}$ electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed ${\ensuremath{\gamma}}_{0}$ applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbors qualitatively improves the tight-binding picture, as we show for graphene and three selected carbon nanotubes.

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What this paper is about

We investigate the tight-binding approximation for the dispersion of the $\ensuremath{\pi}$ and ${\ensuremath{\pi}}^{*}$ electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed ${\ensuremath{\gamma}}_{0}$ applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbors qualitatively improves the tight-binding picture, as we show for graphene and three selected carbon nanotubes.

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Available abstract

We investigate the tight-binding approximation for the dispersion of the $\ensuremath{\pi}$ and ${\ensuremath{\pi}}^{*}$ electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed ${\ensuremath{\gamma}}_{0}$ applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbors qualitatively improves the tight-binding picture, as we show for graphene and three selected carbon nanotubes.

Key concepts: Tight binding, Graphene, Physics, Dispersion (optics), k-nearest neighbors algorithm, Binding energy, Carbon nanotube, Dispersion relation

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