- 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.