Structural and electronic properties of pentagon-heptagon pair defects in carbon nanotubes

Phys. Rev. B 53, 11108 – Published 15 April 1996
J.-C. Charlier, T. W. Ebbesen, and Ph. Lambin

Abstract

General features of the energetics and electronic states of carbon nanotubes, containing pentagon-heptagon pair (5/7) topological defects in the hexagonal network of the zigzag configuration, are investigated within simple tight-binding models. This 5/7 pair defect on the nanotube structure is not only responsible for a change in nanotube diameter, but also governs the electronic behavior around the Fermi level. Furthermore, nanotubes having different helicities and different electronic properties can be connected using such a pair. Various configurations including one, two, and three 5/7 pairs are explored in order to understand the influence of several defects on the electronic properties of the system. Topological aspects associated with the presence of 5/7 pair defects in armchair and chiral nanotubes are also discussed. © 1996 The American Physical Society.

DOI: http://dx.doi.org/10.1103/PhysRevB.53.11108

  • Received 26 September 1995
  • Published in the issue dated 15 April 1996

© 1996 The American Physical Society

Authors & Affiliations

J.-C. Charlier

  • Unité de Physico-Chimie et de Physique des Matériaux, Université Catholique de Louvain, 1 Place Croix du Sud, B-1348 Louvain-la-Neuve, Belgium

T. W. Ebbesen

  • NEC Research Institute, 4 Independence Way, Princeton, New Jersey 08540

Ph. Lambin

  • Institute for Studies in Interface Sciences, Facultés Universitaires Notre-Dame de la Paix, 61 Rue de Bruxelles, B-5000 Namur, Belgium

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