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Interwall interaction and electronic structure of double-walled BN nanotubes
- 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