Density of states and electronic transport calculations of single vacancies in C nanotubes were presented. It was confirmed that the defect reconstructed into a pentagon and a nonagon, following the removal of a single C atom. This led to the formation of a dangling bond. Finally, it was demonstrated that care must be taken when calculating the density of states of impurities in 1-dimensional systems in general. Traditional treatments of these systems using periodic boundary conditions led to the formation of mini-gaps even in the limit of large unit cells.

Transport Properties of Single Vacancies in Nanotubes. A.R.Rocha, J.E.Padilha, A.Fazzio, A.J.R.da Silva: Physical Review B, 2008, 77[15], 153406 (4pp)