Back to Search Start Over

Interwall interaction and electronic structure of double-walled BN nanotubes

Authors :
Susumu Saito
Atsushi Oshiyama
Susumu Okada
Source :
Physical review B. 65(16):165410
Publication Year :
2002
Publisher :
American Physical Society, 2002.

Abstract

We report first-principles total-energy electronic-structure calculations that provide energetics and electronic structures of double-walled BN nanotubes, $(n,0)$@(15,0) and $(m,0)$@(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 $3 \AA{}.$ The electronic energy bands around the Fermi energy depend interestingly on the tube radii due to the hybridization between $\ensuremath{\sigma}$ and $\ensuremath{\pi}$ states. We also find that the nearly-free-electron states of the nanotubes induce peculiar charge redistribution in the interwall region.

Details

Language :
English
ISSN :
10980121
Volume :
65
Issue :
16
Database :
OpenAIRE
Journal :
Physical review B
Accession number :
edsair.doi.dedup.....61c6319837f84cc327e582a22de48bcf