Electronic Structure and Capacitance of Nano-Materials

• Project/Area Number: 20740216
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Single-year Grants
• Research Field: Mathematical physics/Fundamental condensed matter physics
• Research Institution: The University of Tokyo
• Principal Investigator: UCHIDA Kazuyuki 東京大学, 大学院・工学系研究科, 助教 (10393810)
• Project Period (FY): 2008 – 2011
• Project Status: Completed (Fiscal Year 2011)
• Budget Amount: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000); Fiscal Year 2011: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2009: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2008: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
• Keywords: ナノ物質 / ナノデバイス / キャパシタンス / 電子構造計算 / 密度汎関数法 / 第一原理計算

Research Abstract

We have developed a new first-principles method to calculate capacitance in nano-scale systems. We have applied the method to nano-materials, to clarify capacitance with quantum effects. We have shown how the electronic structures of materials are reflected on their capacitances.

Research Products

• [Journal Article] Atomic and electronic structures of alpha-Al_2O_3 surfaces (2010)
  • Author(s): T. Kurita, K. Uchida and A. Oshiyama
  • Journal Title: Phys. Rev Volume: 82 Issue: 15
  • DOI: 10.1103/physrevb.82.155319
  • Peer Reviewed
• [Journal Article] Symmetry and Spin of the Decavacancy in Crystalline Si (2010)
  • Author(s): K. Uchida and A. Oshiyama
  • Journal Title: J. Phys. Soc Volume: 79 Issue: 9 Pages: 093711-093711
  • DOI: 10.1143/jpsj.79.093711
  • NAID: 40017284132
  • Peer Reviewed
• [Journal Article] Atomic and electronic structures of alpha-Al2O3 surfaces (2010)
  • Author(s): T.Kurita, K.Uchida, A.Oshiyama
  • Journal Title: Phys.Rev.B 82 Pages: 155319-155319
  • Peer Reviewed
• [Journal Article] Symmetry and Spin of the Decavacancy in Crystalline Si (2010)
  • Author(s): K.Uchida, A.Oshiyama
  • Journal Title: J.Phys.Soc.Jpn. 79 Pages: 93711-93711
  • NAID: 40017284132
  • Peer Reviewed
• [Journal Article] Symmetry and Spin of the Decavacancy in Crystalline Si (2010)
  • Author(s): K.Uchida, A.Oshiyama
  • Journal Title: Journal of the Physical Society of Japan Volume: 79
  • NAID: 40017284132
  • Peer Reviewed
• [Journal Article] Electronic-Structure Calculations for Carbonnanotube Capacitor with a Dielectric Medium (2009)
  • Author(s): K. Uchida and A. Oshiyama
  • Journal Title: Phys. Rev Volume: 79 Issue: 23
  • DOI: 10.1103/physrevb.79.235444
  • Peer Reviewed
• [Journal Article] Electronic properties of a carbon nanotube in a field-effect transistor structure : A first-principles study (2009)
  • Author(s): K. Uchida and S. Okada
  • Journal Title: Phys. Rev Volume: 79 Issue: 8
  • DOI: 10.1103/physrevb.79.085402
  • NAID: 120007138334
  • Peer Reviewed
• [Journal Article] Electronic-Structure Calculations for Carbonnanotube Capacitor with a Dielectric Medium (2009)
  • Author(s): K.Uchida, A.Oshiyama
  • Journal Title: Phys.Rev.B 79 Pages: 235444-235444
  • Peer Reviewed
• [Journal Article] Electronic properties of a carbon nanotube in a field-effect transistor structure : A first-principles study (2009)
  • Author(s): K .Uchida, S.Okada
  • Journal Title: Phys.Rev.B 79 Pages: 85402-85402
  • NAID: 120007138334
  • Peer Reviewed
• [Journal Article] Electronic structure calculations for a carbon nanotube capacitor with a dielectric medium (2009)
  • Author(s): K.Uchida, A.Oshiyama
  • Journal Title: Physical Review B 79 Pages: 235444-235444
  • Peer Reviewed
• [Journal Article] Electronic properties of a carbon nanotube in a field-effect transistor structure : A first-principles study (2009)
  • Author(s): K. Uchida and S. Okada
  • Journal Title: Physical Review B 79 Pages: 85402-85402
  • NAID: 120007138334
  • Peer Reviewed
• [Journal Article] Quantum Effects of Capacitnace in Nano-Scale Devices (2008)
  • Author(s): K. Uchida
  • Journal Title: ECS transactions Volume 13, Issue Volume: 2 Pages: 51-56
• [Journal Article] Quantum Effects of Capacitnace in Nano-Scale Devices (2008)
  • Author(s): K.Uchida
  • Journal Title: ECS transactions Volume 13,Issue 2 Pages: 51-56
• [Journal Article] Quantum effects of capacitance in nano-scale devices (2008)
  • Author(s): K. Uchida
  • Journal Title: ECS Transactions 13 Pages: 51-56
• [Presentation] 微少ねじれ角で積層した2層グラフェンの大規模電子状態計算による解析 (2012)
  • Author(s): 内田和之、古家真之介、岩田潤一、押山淳
  • Organizer: 日本物理学会
  • Place of Presentation: 関西学院大学
  • Year and Date: 2012-03-24
• [Presentation] Fermi-velocity reduction in twisted bilayer graphene : large-scale density-functional calculations (2012)
  • Author(s): K. Uchida, S. Furuya, J.-I. Iwata, and A. Oshiyama
  • Organizer: APS March Meeting 2012
  • Place of Presentation: Boston Convention Center, Boston, Massachusetts, US
  • Year and Date: 2012-02-27
• [Presentation] 密度汎関数法によるナノ構造の電子機能予測: RSDFTの開発と応用,東京大学物性研究所共同利用スーパーコンピュータ成果報告会+次世代ナノ情報機能・材料 (2012)
  • Author(s): 岩田潤一、内田和之、京極真也、小泉健一、重田育照、古家真之介、押山淳
  • Organizer: 計算科学の課題と展望
  • Place of Presentation: 東京大学物性研究所
  • Year and Date: 2012-02-20
• [Presentation] 密度汎関数法によるナノ構造の電子機能予測:RSDFTの開発と応用 (2012)
  • Author(s): 岩田潤一、内田和之、京極真也、小泉健一、重田育照、古家真之介、押山淳
  • Organizer: 東京大学物性研究所共同利用スーパーコンピュータ成果報告会+次世代ナノ情報機能・材料「計算科学の課題と展望」
  • Place of Presentation: 東京大学物性研究所
  • Year and Date: 2012-02-20
• [Presentation] 実空間密度汎関数法に基づいたCar-Parrinello分子動力学法の開発, Implementation of Car-Parrinello molecular dynamics based on real-splace density functional theory (2012)
  • Author(s): 重田育照、岩田潤一、古家真之介、内田和之、小泉健一、Mauro Boero、押山淳
  • Organizer: 第2回CMSI研究会
  • Place of Presentation: 東北大学金属材料研究所
  • Year and Date: 2012-01-30
• [Presentation] 実空間密度汎関数法に基づいたCar-Parrinello分子動力学法の開発 (2012)
  • Author(s): 重田育照、岩田潤一、古家真之介、内田和之、小泉健一、Mauro Boero、押山淳
  • Organizer: 第2回CMSI研究会
  • Place of Presentation: 東北大学金属材料研究所
  • Year and Date: 2012-01-30
• [Presentation] 実空間密度汎関数法プログラムHP-RSDFTの開発と固体系への適用 (2012)
  • Author(s): 古家真之介、内田和之、岩田潤一、押山淳
  • Organizer: 第2回次世代ナノ統合シミュレーションソフトウェア説明会
  • Place of Presentation: 学士会館(東京)
  • Year and Date: 2012-01-26
• [Presentation] Twisted Bilayer GrapheneのRSDFTコードを用いた大規模電子状態計算,文部科学省科学研究費新学術領域「コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス」 (2012)
  • Author(s): 内田和之、古家真之介、岩田潤一、押山淳
  • Organizer: 平成24年度研究会
  • Place of Presentation: 東京大学
• [Presentation] Twisted Bilayer GrapheneのRSDFTコードを用いた大規模電子状態計算 (2012)
  • Author(s): 内田和之、古家真之介、岩田潤一、押山淳
  • Organizer: 文部科学省科学研究費新学術領域「コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス」平成24年度研究会
  • Place of Presentation: 東京大学
• [Presentation] Electronic Structure Calculation of Twisted Bilayer Graphene, Workshop on Carbon Nanotube in Commemoration of The 20th Anniversary of its Discovery (2011)
  • Author(s): K. Uchida, S. Furuya, J.-I. Iwata, and A. Oshiyama
  • Organizer: The International House of Japan
  • Place of Presentation: The International House of Japan, Minato-ku, Tokyo, Japan
• [Presentation] Electronic Structure Calculation of Twisted Bilayer Graphene (2011)
  • Author(s): K.Uchida, S.Furuya, J.-I.Iwata, A.Oshiyama
  • Organizer: Workshop on Carbon Nanotube in Commemoration of The 20th Anniversary of its Discovery (2011-CNT20)
  • Place of Presentation: The International House of Japan, Minato-ku, Tokyo, Japan
• [Presentation] A brief review on first-principles calculations and its application to nano-capacitance (2010)
  • Author(s): K. Uchida
  • Organizer: The High Performance Computing and Applications Workshop
  • Place of Presentation: Beijing(China)
  • Year and Date: 2010-12-03
• [Presentation] A brief review onfirst-principles calculations and its application to nano-capacitance (2010)
  • Author(s): K.Uchida
  • Organizer: The High Performance Computing and Applications Workshop
  • Place of Presentation: Beijing(China)
  • Year and Date: 2010-12-03
• [Presentation] A brief review on first-principles calculations and its application to nano-capacitanc (2010)
  • Author(s): K.Uchida
  • Organizer: The High Performance Computing and Applications Workshp
  • Place of Presentation: 中国(北京)
  • Year and Date: 2010-12-03
• [Presentation] Structure, spin, and charge of decavacancy V10 in crystalline silicon (2010)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: ICPS2010
  • Place of Presentation: Seoul(Korea)
  • Year and Date: 2010-07-27
• [Presentation] Structure,spin,and charge of decavacancy V10 in crystalline silicon (2010)
  • Author(s): K.Uchida, A.Oshiyama
  • Organizer: ICPS2010
  • Place of Presentation: Seoul(Korea)
  • Year and Date: 2010-07-27
• [Presentation] Structure, spin and charge of decavacancy V10 in crystalline silicon (2010)
  • Author(s): K.Uchida, A.Oshiyama
  • Organizer: 30th International Conference on the Physics of Semiconductors
  • Place of Presentation: 韓国(ソウル)
  • Year and Date: 2010-07-27
• [Presentation] h-BNシート中の原子空孔のエネルギー論 (2010)
  • Author(s): 内田和之、押山淳
  • Organizer: 日本物理学会
  • Place of Presentation: 岡山大学
  • Year and Date: 2010-03-21
• [Presentation] Atomic and Electronic Structures of the Deca-vacancy V10 in Crystalline Silicon (2009)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: ICDS25
  • Place of Presentation: Petersburg(Russia)
  • Year and Date: 2009-07-20
• [Presentation] Atomic and Electronic Structures of the Deca-vacancy V10 in Crystalline Silicon (2009)
  • Author(s): K.Uchida, A.Oshiyama
  • Organizer: ICDS25
  • Place of Presentation: St.Petersburg(Russia)
  • Year and Date: 2009-07-20
• [Presentation] Atomic and Electronic Structure of the Deca-vacancy V10 in Crystalline Silicon (2009)
  • Author(s): 内田和之、押山淳
  • Organizer: 25th International Conference on Defects in Semiconductors
  • Place of Presentation: St.Petersburg, Russia
  • Year and Date: 2009-07-20
• [Presentation] シリコン結晶中の格子欠陥V10の原子構造と電子構造の第一原理的研究 (2009)
  • Author(s): 内田和之、押山淳
  • Organizer: 日本物理学会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-27
• [Presentation] ナノキャパシタの電気容量における静電遮蔽の効果 (2008)
  • Author(s): 内田和之、押山淳
  • Organizer: 日本物理学会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-21
• [Presentation] ナノキャパシタンスの電気容盤における静電遮蔽の効果 (2008)
  • Author(s): 内田和之、押山淳
  • Organizer: 日本物理学会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-21
• [Presentation] Screening of Electrostatic Field by Dielectric Carbonnanotube (2008)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
  • Place of Presentation: Tokyo(Japan)
  • Year and Date: 2008-07-05
• [Presentation] Multi-Walled Carbonnanotube Capacitor (2008)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: QSD2008
  • Place of Presentation: Tokyo(Japan)
  • Year and Date: 2008-07-02
• [Presentation] Screening of Electrostatic Field by Dielectric Carbonnanotube (2008)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: The 1st international conference of the grand challenge to next-generation integrated nanoscience
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2008-06-05
• [Presentation] Multi-walled carbonnanotube capacitor (2008)
  • Author(s): K. Uchida and A. Oshiyama
  • Organizer: International conference on quantum simulation and design 2008
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2008-06-02
• [Presentation] Quantum Effects of Capacitance in Nano-Scale Devices (2008)
  • Author(s): K. Uchida
  • Organizer: 133th ECS Meeting, Phoenix
  • Place of Presentation: Arizona(USA)
• [Presentation] Quantum Effects of Capacitance in Nano-Scale Devices (2008)
  • Author(s): K.Uchida
  • Organizer: 2133th ECS Meeting
  • Place of Presentation: Phoenix,Arizona(USA)
• [Presentation] Quantum effects of capacitance in nano-scale devices (2008)
  • Author(s): K. Uchida
  • Organizer: 213th ECS (Electro-Chemical Society) Meeting
  • Place of Presentation: Phoenix, Arozona