Effect of Carbon Network Defects on the Electronic Structure of Semiconductor Single-Wall Carbon Nanotubes

Avramov, P.V.; Yakobson, B.I.; Scuseria, G.E.
June 2004
Physics of the Solid State;Jun2004, Vol. 46 Issue 6, p1168
Academic Journal
For a single-wall (14, 0) carbon nanotube, the total density of electronic states of the ideal structure and of some possible defect structures is calculated in the framework of the band theory approach using Gaussian-type orbitals and the approximation of the generalized density gradient. It is shown that allowance for defects of the atomic structure of a nanotube makes it possible to adequately describe the existing experimental data on nanotube electronic structure. In the framework of the same approach, the total density of electronic states is calculated for an intermolecular contact of (5, 5) and (10, 0) single-wall carbon nanotubes formed due to the creation of a 5–7 defect. It is shown that the electronic states related to the contact region and the 5–7 defect lie in vicinity of the Fermi level. © 2004 MAIK “Nauka / Interperiodica”.


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