Deformation-Induced Electronic Structure Changes in Boron Nitride Nanotubes
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- KINOSHITA Yusuke
- Nagoya Univ.
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- OHNO Nobutada
- Nagoya Univ.
Bibliographic Information
- Other Title
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- 窒化ホウ素ナノチューブの変形誘起電子構造変化
- チッカ ホウソ ナノチューブ ノ ヘンケイ ユウキ デンシ コウゾウ ヘンカ
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Description
Electronic structures of (6,0), (8,0), and (10,0) single-walled boron nitride nanotubes (SWBNNTs) under tension, torsion and flattening are investigated using first-principles calculations. Energy bands and charge distributions of the SWBNNTs are calculated within the density-functional theory, and forces required to deform the SWBNNTs are estimated from the energy variation with deformation. Our calculations show that the tension, torsion and flattening decrease energy gaps of the SWBNNTs because of a decrease in the energy of the conduction band minimum (CBM). The decrease in the CBM energy is caused by an overlap of CBM charge densities between boron atoms. It is found that the flattening deformation leads to the larger decrease in energy gaps of the SWBNNTs with the smaller force than the tension and torsion.
Journal
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- Journal of the Society of Materials Science, Japan
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Journal of the Society of Materials Science, Japan 59 (8), 604-609, 2010
The Society of Materials Science, Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390282680394738688
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- NII Article ID
- 130000301823
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- NII Book ID
- AN00096175
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- ISSN
- 18807488
- 05145163
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- NDL BIB ID
- 10811793
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- Text Lang
- ja
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- Abstract License Flag
- Disallowed
