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|Title:||Boron nitride and carbon double-wall hetero-nanotubes: First-principles calculation of electronic properties|
|Authors:||Pan, H. |
|Source:||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/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.|
|Appears in Collections:||Staff Publications|
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