8 January 2013 Ionization energy oscillations in metallic and semiconducting nanotubes of ultra small diameters
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Proceedings Volume 8700, International Conference Micro- and Nano-Electronics 2012; 870011 (2013) https://doi.org/10.1117/12.2017060
Event: International Conference on Micro-and Nano-Electronics 2012, 2012, Zvenlgorod, Russian Federation
Abstract
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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Eugeniy N. Bormontov, Eugeniy N. Bormontov, Alexander A. Ganin, Alexander A. Ganin, Larissa A. Bityutskaya, Larissa A. Bityutskaya, } "Ionization energy oscillations in metallic and semiconducting nanotubes of ultra small diameters", Proc. SPIE 8700, International Conference Micro- and Nano-Electronics 2012, 870011 (8 January 2013); doi: 10.1117/12.2017060; https://doi.org/10.1117/12.2017060
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