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2008 Fiscal Year Final Research Report

Development & Application of Design Method for Electron-Transport Properties of Nanostructures

Research Project

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Project/Area Number 17064012
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionOsaka University

Principal Investigator

HIROSE Kikuji  Osaka University, 大学院・工学研究科, 客員教授 (10073892)

Co-Investigator(Kenkyū-buntansha) GOTO Hidekazu  大阪大学, 大学院・工学研究科, 准教授 (80170463)
ONO Tomoya  大阪大学, 大学院・工学研究科, 助教 (80335372)
INAGAKI Koji  大阪大学, 大学院・工学研究科, 助教 (50273579)
EGAMI Yoshiyuki  長崎大学, 工学部, 助教 (20397631)
Project Period (FY) 2005 – 2008
Keywords第一原理電子状態計算 / 電気伝導特性 / ナノストラクチャー
Research Abstract

本研究課題では、ナノメータースケールの微小構造体の構造や機能を原子・電子レベルで予測・解明することができる量子力学に基づいた計算手法とそれに基づいたシミュレーションプログラムを開発した。このようなスケールの構造体はマクロな構造体とは全く異なった性質を示すため、量子力学に基づいた解析が必須である。開発したプログラムを用いて原子や分子が一列に並んだ鎖の電気伝導特性や半導体デバイス用絶縁膜の絶縁特性などを解明する研究を行った。

  • Research Products

    (20 results)

All 2009 2008 2007 2006

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (8 results) Patent(Industrial Property Rights) (2 results) (of which Overseas: 1 results)

  • [Journal Article] First-principles study on even-odd conductance oscillation of Pt atomic nanowires2009

    • Author(s)
      Tomoya Ono
    • Journal Title

      The Journal of Physical Chemistry C 113(15)

      Pages: 6256-6260

    • Peer Reviewed
  • [Journal Article] First-principles calculation of electronic polarization of III-V nanotubes2008

    • Author(s)
      Jun Otsuka, Kikuji Hirose, and Tomoya Ono
    • Journal Title

      Phys. Rev. B. 78(3)

      Pages: 035426 1-4

    • Peer Reviewed
  • [Journal Article] First-Principles Study of Electron-Conduction Properties of C60 Bridges2007

    • Author(s)
      Tomoya Ono and Kikuji Hirose
    • Journal Title

      Phys. Rev. Lett. 98(2)

      Pages: 026804 1-4

    • Peer Reviewed
  • [Journal Article] First-principles study on electronic structures and dielectric properties of Si/SiO_2 interface, Journal of Physics2007

    • Author(s)
      Tomoya Ono, Katsuhiro Kutsuki, Yoshiyuki Egami, Heiji Watanabe, and Kikuji Hirose
    • Journal Title

      Condensed Matter 19(36)

      Pages: 365202 1-7

    • Peer Reviewed
  • [Journal Article] Relationship between Geometric Structure and Conductance Oscillation in Nanowires2007

    • Author(s)
      Yoshiyuki Egami, Shuichiro Aiba, Tomoya Ono, and Kikuji Hirose
    • Journal Title

      Journal of Physics: Condensed Matter 19(36)

      Pages: 365201 1-10

    • Peer Reviewed
  • [Journal Article] A Path-Integration Calculation Method Based on the Real-Space Finite-Difference Scheme2007

    • Author(s)
      Hidekazu Goto, Tomoya Ono and Kikuji Hirose
    • Journal Title

      Journal of Physics : Condensed Matter 19(36)

      Pages: 365205 1-8

    • Peer Reviewed
  • [Journal Article] First-Principles Calculation of Tunneling Current of H_2- or NH_3-Adsorbed Si(001) Surface in Scanning Tunneling Microscopy2006

    • Author(s)
      Shinya Horie, Tomoya Ono, Yuji Kuwahara, Katsuyoshi Endo, and Kikuji Hirose
    • Journal Title

      Jpn. J. Appl. Phys. 45(3B)

      Pages: 2154-2157

    • Peer Reviewed
  • [Journal Article] First-Principles Study on Electron-Conduction Properties of Single-Row Gold Nanowires2006

    • Author(s)
      Yoshiyuki Egami, Takashi Sasaki, Tomoya Ono, Hidekazu Goto, and Kikuji Hirose
    • Journal Title

      Jpn. J. Appl. Phys. 45(3B)

      Pages: 2132-2135

    • Peer Reviewed
  • [Journal Article] First-principles study of the tunnel current between a scanning tunneling microscopy tip and a hydrogen-adsorbed Si(001) surface2006

    • Author(s)
      Tomoya Ono, Shinya Horie, Katsuyoshi Endo, and Kikuji Hirose
    • Journal Title

      Phys. Rev. B 73(24)

      Pages: 245314 1-5

    • Peer Reviewed
  • [Journal Article] Order-N first-principles calculation method for self-consistent ground-state electronic structures of semi-infinite systems2006

    • Author(s)
      Takashi Sasaki, Tomoya Ono, and Kikuji Hirose
    • Journal Title

      Phys. Rev. E 74(5)

      Pages: 065704 1-7

    • Peer Reviewed
  • [Presentation] Electronic and structural properties of germanium dioxide2009

    • Author(s)
      Shoichiro Saito, Kikuji Hirose, and Tomoya Ono
    • Organizer
      XIV INTERNATIONAL WORKSHOP ON COMPUTATIONAL PHYSICS AND MATERIALS SCIENCE : TOTAL ENERGY AND FORCE METHODS
    • Place of Presentation
      Trieste, Italy
    • Year and Date
      20090108-10
  • [Presentation] Oscillatory Behavior of Conductance of 5d Metal Nanowires2008

    • Author(s)
      Tomoya Ono
    • Organizer
      The 11th Asian Workshop On First-Principles Electronic Structure Calculations
    • Place of Presentation
      Kaohsiung, Taiwan
    • Year and Date
      20081103-05
  • [Presentation] First-principles study on electron transport properties of molecules2008

    • Author(s)
      Tomoya Ono
    • Organizer
      4th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      Osaka, Japan
    • Year and Date
      20080929-1001
  • [Presentation] First-principles electron-transport calculation for fullerene polymers2008

    • Author(s)
      Hideki Kitajima, Kikuji Hirose, and Tomoya Ono
    • Organizer
      4th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      Osaka, Japan
    • Year and Date
      20080929-1001
  • [Presentation] First-principles electron-transport property calculation for nanostructures suspended between semiinfinite electrodes2008

    • Author(s)
      Yoshiyuki Egami, Tomoya Ono and Kikuji Hirose
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      20080531-0603
  • [Presentation] First-principles calculation for electron conduction properties using real-space finite-different method2006

    • Author(s)
      Tomoya Ono and Kikuji Hirose
    • Organizer
      Quantum transport and non-adiabatic electron evolution from first principles approaches
    • Place of Presentation
      Lyon, France
    • Year and Date
      20061204-08
  • [Presentation] Electronic Structures of Peanut-shaped Fullerene Tubes : Extended Abstracts of International2006

    • Author(s)
      Hiroyuki Nakayama, Tomoya Ono, Hidekazu Goto, and Kikuji Hirose
    • Organizer
      21st Century COE Symposium on Atomistic Fabrication Technology
    • Place of Presentation
      Osaka, Japan
    • Year and Date
      20061019-20
  • [Presentation] Theoretical Calculations of Electron-Conduction Properties for Nanoscale Structures2006

    • Author(s)
      Kikuji Hirose and Tomoya Ono
    • Organizer
      Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      Osaka, Japan
    • Year and Date
      20060130-0201
  • [Patent(Industrial Property Rights)] Numerical Simulation Apparatus for Time Dependent Schrodinger Equation2009

    • Inventor(s)
      Kikuji HIROSE and Hidekazu GOTO
    • Industrial Property Rights Holder
      Osaka University
    • Industrial Property Number
      特許権, PCT/JP2007/067473
    • Filing Date
      2009-03-12
    • Overseas
  • [Patent(Industrial Property Rights)] 時間依存シュレディンガー方程式の数値シミュレーション装置2006

    • Inventor(s)
      広瀬喜久治、後藤英和
    • Industrial Property Rights Holder
      国立大学法人大阪大学
    • Industrial Property Number
      特許権, 特願2006-247367
    • Filing Date
      2006-09-12

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Published: 2010-06-10   Modified: 2016-04-21  

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