Hidden one-electron interactions in carbon nanotubes revealed in graphene nanostrips.
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.
White
Carter T
CT
Chemistry Division, Naval Research Laboratory, Washington, DC 20375, USA. carter.white@nrl.navy.mil
Li
Junwen
J
Gunlycke
Daniel
D
Mintmire
John W
JW