書誌事項
- タイトル別名
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- Deformation-Induced Electronic Structure Changes in Boron Nitride Nanotubes
- 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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説明
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.
収録刊行物
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- 材料
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材料 59 (8), 604-609, 2010
公益社団法人 日本材料学会
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詳細情報 詳細情報について
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- CRID
- 1390282680394738688
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- NII論文ID
- 130000301823
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- NII書誌ID
- AN00096175
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- ISSN
- 18807488
- 05145163
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- NDL書誌ID
- 10811793
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可
