Please use this identifier to cite or link to this item: https://doi.org/10.1088/0957-4484/19/9/095707
Title: Boron nitride and carbon double-wall hetero-nanotubes: First-principles calculation of electronic properties
Authors: Pan, H. 
Feng, Y.P. 
Lin, J.
Issue Date: 5-Feb-2008
Citation: Pan, H., Feng, Y.P., Lin, J. (2008-02-05). Boron nitride and carbon double-wall hetero-nanotubes: First-principles calculation of electronic properties. Nanotechnology 19 (9) : -. ScholarBank@NUS Repository. https://doi.org/10.1088/0957-4484/19/9/095707
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. © IOP Publishing Ltd.
Source Title: Nanotechnology
URI: http://scholarbank.nus.edu.sg/handle/10635/95882
ISSN: 09574484
DOI: 10.1088/0957-4484/19/9/095707
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