Hidden one-electron interactions in carbon nanotubes revealed in graphene nanostrips.

White, Carter T; Li, Junwen; Gunlycke, Daniel; Mintmire, John W · Nano Lett · 2007

basic_science · Level V

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Abstract

Many single-wall carbon nanotube (SWNT) properties near the Fermi level were successfully predicted using a nearest-neighbor tight-binding model characterized by a single parameter, V1. We show however that this model fails for armchair-edge graphene nanostrips due to interactions directly across hexagons. These same interactions are found largely hidden in the description of SWNTs, where they renormalize V1 leaving previous nearest-neighbor model SWNT results largely intact while resolving a long-standing puzzle regarding the magnitude of V1.