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2011 Fiscal Year Final Research Report

Electronic Structure and Capacitance of Nano-Materials

Research Project

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Project/Area Number 20740216
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionThe 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
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

    (21 results)

All 2012 2011 2010 2009 2008

All Journal Article (5 results) (of which Peer Reviewed: 4 results) Presentation (16 results)

  • [Journal Article] Atomic and electronic structures of alpha-Al_2O_3 surfaces2010

    • Author(s)
      T. Kurita, K. Uchida and A. Oshiyama
    • Journal Title

      Phys. Rev

      Volume: 82

    • DOI

      DOI:10.1103/PhysRevB.82.155319

    • Peer Reviewed
  • [Journal Article] Symmetry and Spin of the Decavacancy in Crystalline Si2010

    • Author(s)
      K. Uchida and A. Oshiyama
    • Journal Title

      J. Phys. Soc

      Volume: 79

    • DOI

      DOI:10.1143/JPSJ.79.093711

    • Peer Reviewed
  • [Journal Article] Electronic-Structure Calculations for Carbonnanotube Capacitor with a Dielectric Medium2009

    • Author(s)
      K. Uchida and A. Oshiyama
    • Journal Title

      Phys. Rev

      Volume: 79

    • DOI

      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 study2009

    • Author(s)
      K. Uchida and S. Okada
    • Journal Title

      Phys. Rev

      Volume: 79

    • DOI

      DOI:10.1103/PhysRevB.79.085402

    • Peer Reviewed
  • [Journal Article] Quantum Effects of Capacitnace in Nano-Scale Devices2008

    • Author(s)
      K. Uchida
    • Journal Title

      ECS transactions Volume 13, Issue

      Volume: 2 Pages: 51-56

    • URL

      http://www.ecsdl.org/getabs/servlet/GetabsServlet?prog=normal & id=ECSTF8000013000002000051000001 & idtype=cvips & gifs=yes & ref=no

  • [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
    • Year and Date
      20120316-0317
  • [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 calculations2012

    • 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] 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 theory2012

    • 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] Electronic Structure Calculation of Twisted Bilayer Graphene, Workshop on Carbon Nanotube in Commemoration of The 20th Anniversary of its Discovery2011

    • 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
    • Year and Date
      20111212-1213
  • [Presentation] A brief review on first-principles calculations and its application to nano-capacitance2010

    • Author(s)
      K. Uchida
    • Organizer
      The High Performance Computing and Applications Workshop
    • Place of Presentation
      Beijing(China)
    • Year and Date
      2010-12-03
  • [Presentation] Structure, spin, and charge of decavacancy V10 in crystalline silicon2010

    • Author(s)
      K. Uchida and A. Oshiyama
    • Organizer
      ICPS2010
    • Place of Presentation
      Seoul(Korea)
    • 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 Silicon2009

    • Author(s)
      K. Uchida and A. Oshiyama
    • Organizer
      ICDS25
    • Place of Presentation
      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] Quantum Effects of Capacitance in Nano-Scale Devices2008

    • Author(s)
      K. Uchida
    • Organizer
      133th ECS Meeting, Phoenix
    • Place of Presentation
      Arizona(USA)
    • Year and Date
      20080518-0523
  • [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] Screening of Electrostatic Field by Dielectric Carbonnanotube2008

    • 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 Capacitor2008

    • Author(s)
      K. Uchida and A. Oshiyama
    • Organizer
      QSD2008
    • Place of Presentation
      Tokyo(Japan)
    • Year and Date
      2008-07-02

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Published: 2013-07-31  

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