Electronic structure and interband transitions of metallic carbon nanotubes

D’yachkov, P. N.; Hermann, H.; Kirin, D. V.
December 2002
Applied Physics Letters;12/30/2002, Vol. 81 Issue 27, p5228
Academic Journal
Band structure of the metallic (n,n) carbon nanotubes (coefficients n are the indices of the two-dimensional primitive lattice vectors of the graphene lattice) is calculated in terms of a linear augmented cylindrical wave method. The results are used to correlate the minimum direct energy gaps E[sub 11] between the conduction and valence band singularities with the nanotube diameter d and optical absorption spectra. Significant deviations from the equation E[sub 11]∼d[sup -1] are observed. The ππ[sup *] gap energy increases monotonically with 1/d, whereas the σ,π[sup *] gap width shows a minimum at n = 10. In the (3, 3) tube, the conduction band singularity coincides with the Fermi level, resulting in a drastic increase of the density of states on this level.


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