dc.citation.endPage |
2472 |
- |
dc.citation.number |
9 |
- |
dc.citation.startPage |
2469 |
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dc.citation.title |
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN |
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dc.citation.volume |
73 |
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dc.contributor.author |
Park, Noejung |
- |
dc.contributor.author |
Cho, J |
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dc.contributor.author |
Nakamura, H |
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dc.date.accessioned |
2023-12-22T10:43:20Z |
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dc.date.available |
2023-12-22T10:43:20Z |
- |
dc.date.created |
2014-11-10 |
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dc.date.issued |
2004-09 |
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dc.description.abstract |
Electronic and geometrical aspects of the boron-nitride nanotubes are investigated using the first-principles pseudopotential calculations. Decompositions into atomic orbitals show that overall band structures of the ideal boron-nitride nanotubes are derived from the hybridized sp2 orbitals of boron atoms and s and p orbitals of nitrogen atoms. The incorporation of the even-membered ring in the cap of the nanotube induce a substantial hybridization between σ and π states of boron atoms, which leads to a significant reduction of the band gap. Several geometrical features of the boron-nitride nanotubes are described based on the revealed electronic structure. |
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dc.identifier.bibliographicCitation |
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, v.73, no.9, pp.2469 - 2472 |
- |
dc.identifier.doi |
10.1143/JPSJ.73.2469 |
- |
dc.identifier.issn |
0031-9015 |
- |
dc.identifier.scopusid |
2-s2.0-20144369125 |
- |
dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/8567 |
- |
dc.identifier.url |
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=20144369125 |
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dc.identifier.wosid |
000224005200023 |
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dc.language |
영어 |
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dc.publisher |
PHYSICAL SOC JAPAN |
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dc.title |
First-principles calculations on boron-nitride nanotubes |
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dc.type |
Article |
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dc.description.journalRegisteredClass |
scopus |
- |