Abstract
We report first-principles total-energy electronic-structure calculations that provide energetics and electronic structures of double-walled BN nanotubes, @(15,0) and @(20,0). We find that the most favorable double-walled nanotubes studied here are (7,0)@(15,0) and (12,0)@(20,0) in which the interwall distances are about The electronic energy bands around the Fermi energy depend interestingly on the tube radii due to the hybridization between and states. We also find that the nearly-free-electron states of the nanotubes induce peculiar charge redistribution in the interwall region.
- Received 5 November 2001
DOI:https://doi.org/10.1103/PhysRevB.65.165410
©2002 American Physical Society