Systematic calculations were performed for single vacancies, and related point defects, in achiral C nanotubes by using a tight-binding model. The calculations showed that the local structures around single vacancies reconstructed under no constraint. It was found that the structural configuration and formation energy of the resultant point defect depended upon the radius and chirality, as well as upon the electric properties of a tube. The electronic structures of the single vacancies also depended strongly upon the chirality of the C nanotubes.

Nature of Single Vacancy in Achiral Carbon Nanotubes. A.J.Lu, B.C.Pan: Physical Review Letters, 2004, 92[10], 105504 (3pp)