Angular perturbations modify the band structure of armchair (and other metallic) carbon nanotubes by breaking the tube symmetry and may induce a metal-semiconductor transition when certain selection rules are satisfied. The symmetry requirements apply for both the nanotube and the perturbation potential, as studied within a nonorthogonal π -orbital tight-binding method. Perturbations of two categories are considered: an on-site electrostatic potential and a lattice deformation which changes the off-site hopping integrals. Armchair nanotubes are proved to be robust against the metal-semiconductor transition in second-order perturbation theory due to their high symmetry, but can develop a nonzero gap by extending the perturbation series to higher orders or by combining potentials of different types. An assumption of orthogonality between π orbitals is shown to lead to an accidental electron-hole symmetry and extra selection rules that are weakly broken in the nonorthogonal theory. These results are further generalized to metallic nanotubes of arbitrary chirality.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - 2006|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics