Journal
NANOTECHNOLOGY
Volume 19, Issue 9, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0957-4484/19/9/095707
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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.
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