著者
Okada Susumu Saito Susumu Oshiyama Atsushi
出版者
American Physical Society
雑誌
Physical review B (ISSN:10980121)
巻号頁・発行日
vol.65, no.16, pp.165410, 2002-04
被引用文献数
74 83

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 Å. The electronic energy bands around the Fermi energy depend interestingly on the tube radii due to the hybridization between σ and π states. We also find that the nearly-free-electron states of the nanotubes induce peculiar charge redistribution in the interwall region.

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