title: Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties.
abstract: First-principles calculations based on density functional theory with the generalized gradient approximation were carried out to investigate the electronic properties of boron nitride and carbon double-wall hetero-nanotubes of different chirality and size. The results show that the electronic structures of the double-wall hetero-nanotubes near the Fermi level are dominated by the p electrons of carbon atoms, regardless of whether the carbon nanotube is inside or outside the boron nitride nanotube. Double-wall hetero-nanotubes consisting of semiconducting carbon and boron nitride nanotubes are semiconductors. An opening of a band gap is observed for armchair carbon and boron nitride double-wall hetero-nanotubes with small intertube spacing due to the intertube interaction and the changes of symmetry.
authors.affiliation: Department of Physics, National University of Singapore, 2 Science Drive 2, 117542, Singapore.
authors.forename: Hui
authors.initials: H
authors.lastname: Pan
authors.forename: Yuan Ping
authors.initials: YP
authors.lastname: Feng
authors.forename: Jianyi
authors.initials: J
authors.lastname: Lin