Tight-binding description of graphene

作者：Stephanie Reich, Janina Maultzsch, C. Thomsen, Pablo Ordejón · 发表于：Physical review. B, Condensed matter · 年份：2002 · DOI：10.1103/physrevb.66.035412 · 被引用次数：1113 · 研究领域：Graphene research and applications、Quantum and electron transport phenomena、Carbon Nanotubes in Composites

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.