Single-walled carbon nanotubes with ultra small diameter are of particular interest for investigation of properties of nanotubes with different chiralities. Density functional theory provides a very effective method for the description of ground-state characteristics of metals, semiconductors and insulators. Here we present the results of a study of band structure, ionization energy, work function and bond energy in carbon nanotubes (with diameters ranged 0.2 – 2.0 nm) carried out within the density functional theory. We have found that chirality strongly affects these parameters in nanotubes of very small diameters where conventional tight-binding models are not appropriate.
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