It had been shown that Stone-Wales defects induced various electronic features when they were formed with different angles with respect to the axis of armchair carbon nanotubes. However, the electronic features introduced by Stone-Wales defects in metallic zig-zag and chiral carbon nanotubes was less considered. By means of density functional calculations, a study was made of the electronic effects induced by Stone-Wales defects in metallic zig-zag and chiral tubes. How these effects changed with defect orientation and concentration was investigated. It was shown that two and three distinctive orientations of Stone-Wales defects, respectively in the case of zig-zag and chiral tubes, unlike those in armchair ones, behave the same and both introduce a semiconducting gap and an electron-rich region around the defects. For zig-zag tubes, the longitudinal defects open wider band gaps than circumferential ones. The value of the gaps in zig-zag and chiral tubes were attributed to the degree of deformation caused by the defects.

Electronic Features Induced by Stone-Wales Defects in Zigzag and Chiral Carbon Nanotubes. P.Partovi-Azar, S.Panahian Jand, A.Namiranian, H.Rafii-Tabar: Computational Materials Science, 2013, 79, 82-6