Bulg. J. Phys. vol.32 no.4 (2005), pp. 237-256

Electronic and Vibrational Properties of Single-Walled Carbon Nanotubes

V. N. Popov1, Ph. Lambin2
1Faculty of Physics, University of Sofia, BG-1164 Sofia, Bulgaria
2Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
Abstract. The implementation of a symmetry-adapted scheme to the study of the electronic and vibrational properties of single-walled carbon nanotubes is presented. The usually very large number of carbon pairs in the unit cell of the nanotubes, that hinders most of the microscopic studies, is conveniently handled in this approach by using the screw symmetry of the nanotubes and a two-atom unit cell. This scheme allows the systematic simulation of various properties (vibrational, mechanical, thermal, electronic, optical, dielectric, etc.) of all nanotubes of practical interest. The application of symmetry-adapted models to the study of some of these properties is illustrated in two cases: a force-constant approach and a tight-binding approach.

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