Electronic properties of achiral and chiral gold nanotubes

Resumo

The band structure of ten single-walled gold nanotubes of different radius and chirality angle have been calculated by the linearized augmented cylindrical wave method. For all tubes, the Fermi level crosses the half-filled band; therefore, the tubes are characterized by a metallic electronic structure. The band structure of the nanotubes changes relatively weakly with a change in nanotube structure. The valence band width for all the tubes is 9.1 eV. The density of states at the Fermi level remains unaltered with a change in chirality angle and decreases by 30% with an increase in radius from 3 to 12 Å.