First-principles study on the mechanism of deformation-induced electric current in boron nitride nanotubes

• Project/Area Number: 20810014
• Research Category: Grant-in-Aid for Young Scientists (Start-up)
• Allocation Type: Single-year Grants
• Research Field: Nanomaterials/Nanobioscience
• Research Institution: Nagoya University
• Principal Investigator: KINOSHITA Yusuke Nagoya University, 大学院・工学研究科, 助教 (60509074)
• Project Period (FY): 2008 – 2009
• Project Status: Completed (Fiscal Year 2009)
• Budget Amount: ¥3,289,000 (Direct Cost: ¥2,530,000、Indirect Cost: ¥759,000); Fiscal Year 2009: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2008: ¥1,729,000 (Direct Cost: ¥1,330,000、Indirect Cost: ¥399,000)
• Keywords: 窒化ホウ素ナノチューブ / バンドギャップ / 変形誘起電気特性変化 / 第一原理 / 第一原理計算 / 変形誘起電流

Research Abstract

Electronic changes in boron nitride nanotubes (BNNTs) subjected to axial tension and compression and radial flattening have been investigated using first-principles calculations. It is found that a flattening leads to the larger change in band gaps of BNNTs than an axial deformation. It is also found that flattening-induced band gap changes depend strongly on tube diameters and the number of walls of BNNTs.

Research Products

• [Journal Article] 窒化ホウ素ナノチューブの変形誘起電子構造変化 (2010)
  • Author(s): 木下佑介, 大野信忠
  • Journal Title: 材料 59(8)(掲載決定) Pages: 6-6
  • NAID: 130000301823
  • Peer Reviewed
• [Journal Article] Flattening-induced electronic changes in zigzag single-and multi-walled boron nitride nanotubes: A first-principles DFT study (2009)
  • Author(s): Y. Kinoshita, S. Hase, N. Ohno
  • Journal Title: Physical Review B 80 Pages: 125114-125114
  • Peer Reviewed
• [Journal Article] Flattening-induced electronic changes in zigzag single- and multi-walled boron nitride nanotubes : A first-principles DFT study (2009)
  • Author(s): Y.Kinoshita, S.Hase, N.Ohno
  • Journal Title: Physical Review B Vol. 80 Pages: 125114-125114
  • Peer Reviewed
• [Presentation] 窒化ホウ素ナノチューブの変形誘起電気特性変化に関する第一原理計算 (2009)
  • Author(s): 木下佑介, 長谷晋, 大野信忠
  • Organizer: 日本機械学会第22回計算力学講演会
  • Place of Presentation: 金沢大学
  • Year and Date: 2009-10-11
• [Presentation] 窒化ホウ素ナノチューブの変形誘起電気特性変化に関する第一原理計算 (2009)
  • Author(s): 木下佑介, 長谷晋, 大野信忠
  • Organizer: 日本機械学会第22回計算力学講演会
  • Place of Presentation: 金沢大学(石川県)
  • Year and Date: 2009-10-11
• [Presentation] First-principles DFT study on energy gap of boron nitride nanotubes under flattening compression (2009)
  • Author(s): Y. Kinoshita, S. Hase, N. Ohno
  • Organizer: 1st International Conference on Material Modelling
  • Place of Presentation: Kongresszentrum Westfalenhallen(ドイツ・ドルトムント)
  • Year and Date: 2009-09-15
• [Presentation] 窒化ホウ素ナノチューブの扁平化に伴う電気的特性変化解析 (2009)
  • Author(s): 木下佑介, 長谷晋, 大野信忠
  • Organizer: 日本材料学会第14回分子動力学シンポジウム
  • Place of Presentation: 愛媛県県民文化会館
  • Year and Date: 2009-05-22
• [Presentation] 窒化ホウ素ナノチューブの扁平化に伴う電気的特性変化解析 (2009)
  • Author(s): 木下佑介, 長谷晋, 大野信忠
  • Organizer: 日本材料学会第14回分子動力学シンポジウム
  • Place of Presentation: 愛媛県県民文化会館(愛媛県)
  • Year and Date: 2009-05-22
• [Presentation] Electronic structure of flattened boron nitride nanotubes: First-principles DFT study (2009)
  • Author(s): Y. Kinoshita, S. Hase, N. Ohno
  • Organizer: International Conference on Computational & Experimental Engineering and Science 2009
  • Place of Presentation: Hilton Phuket Arcadia Resort & Spa(タイ・プーケット)
  • Year and Date: 2009-04-11
• [Presentation] Electronic structure of flattened boron nitride nanotubes : First-principles DFT study (2009)
  • Author(s): Y.Kinoshita, S.Hase, N.Ohno
  • Organizer: International Conference on Computational & Experimental Engineering and Science 2009
  • Place of Presentation: Hilton Phuket Arcadia Resort & Spa(タイ・プーケット)
  • Year and Date: 2009-04-11