White, Carter T. and Li, Junwen and Gunlycke, Daniel and Mintmire, John W. (2007) Hidden one-electron interactions in carbon nanotubes revealed in graphene nanostrips. NANO LETTERS, 7 (3). pp. 825-830.
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Official URL: http://pubs.acs.org/doi/abs/10.1021/nl0627745
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.
|Subjects:||Physical Science > Nanophysics|
Material Science > Nanostructured materials
|Deposited By:||Anuj Seth|
|Deposited On:||26 May 2009 12:09|
|Last Modified:||26 May 2009 12:09|
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