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Computational design of high-efficient quantum device using first-principles calculation

Research Project

Project/Area Number 24710113
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Nanostructural science
Research InstitutionOsaka University

Principal Investigator

ONO Tomoya  大阪大学, 工学(系)研究科(研究院), 助教 (80335372)

Project Period (FY) 2012-04-01 – 2014-03-31
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2012: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords第一原理計算 / 輸送特性 / ナノデバイス / 密度汎関数理論
Research Abstract

In this project, the improvement of the first-principles calculation method for the calculation of transport property and electronic structure of nano devices, which is originally developed in my group, has been carried out. The evaluation and design of nano devices have been conducted using the developed methods. I improved the transport calculation scheme combining the real-space finite-difference approach and non-equilibrium Green's function method. I revealed the electron transport property of the devices utilizing carbon nanotubes and the scattering potential of defects on Ge(001) surface for conduction band electrons.

Report

(3 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Research-status Report
  • Research Products

    (27 results)

All 2014 2013 2012

All Journal Article (8 results) (of which Peer Reviewed: 8 results) Presentation (18 results) (of which Invited: 4 results) Book (1 results)

  • [Journal Article] First-principles calculation of scattering potentials of Si-Ge and Sn-Ge dimers on Ge(001) surfaces2013

    • Author(s)
      Tomoya Ono
    • Journal Title

      Physical Review B

      Volume: 87(8) Pages: 0853111-6

    • Related Report
      2013 Final Research Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] First-principles study of spin-dependent transport through graphene/BNC/graphene structure2013

    • Author(s)
      Tadashi Ota and Tomoya Ono
    • Journal Title

      Nanoscale Research Letters

      Volume: 8 Pages: 199-199

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Convergence of the Broyden density mixing method in noncollinear magnetic systems2013

    • Author(s)
      Marcus Heide and Tomoya Ono
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 82(11) Pages: 1147061-10

    • NAID

      210000132838

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Doping Effect on Magnetism and Transport Property of Heterojunction between Carbon and Boron Nitride Nanotubes2013

    • Author(s)
      Huy Duy Nguyen and Tomoya Ono
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 117(46) Pages: 24115-24120

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles electronic-structure and transport calculation formalism using real-space grid based method2013

    • Author(s)
      Tomoya Ono
    • Journal Title

      AIP Conference Proceedings

      Volume: 1558 Pages: 1524-1527

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles transport calculation method based on real-space finite-difference nonequilibrium Green's function scheme2012

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

      Physical Review B

      Volume: 86(19) Pages: 1954061-13

    • NAID

      120006985802

    • Related Report
      2013 Final Research Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] First-principles study on transport property of peapods2012

    • Author(s)
      Takashi Kojima and Tomoya Ono
    • Journal Title

      Current Applied Physics

      Volume: 12(3) Pages: S100-S104

    • DOI

      10.1016/j.cap.2012.04.006

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] First-principles calculation methods for obtaining scattering waves to investigate transport properties of nanostructures2012

    • Author(s)
      Tomoya Ono, Yoshitaka Fujimoto, and Shigeru Tsukamoto
    • Journal Title

      Quantum Matter

      Volume: 1(1) Issue: 1 Pages: 4-19

    • DOI

      10.1166/qm.2012.1002

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] First-principles study on electron transport property of nanoscale systems2013

    • Author(s)
      Tomoya Ono
    • Organizer
      International Symposium of Computational Science 2013 Special Session [Spintronics : First-Principles Simulation & Measurement]
    • Place of Presentation
      Kanazawa, Japan
    • Related Report
      2013 Final Research Report
  • [Presentation] First-principles study on scattering properties of nanostructures2013

    • Author(s)
      Tomoya Ono
    • Organizer
      International Workshop of Computational Nano-Materials Design on Green Energy, JSPS Core-to-Core Program Workshop
    • Place of Presentation
      Awaji, Japan
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] First-principles electronic-structure and transport calculation formalism using real-space grid based method (Plenary talk)2013

    • Author(s)
      Tomoya Ono
    • Organizer
      Computational and theoretical analysis of grid-based quantum many-body theory
    • Place of Presentation
      Rhodes, Greece
    • Related Report
      2013 Final Research Report
  • [Presentation] Real-space grid-based calculations for electronic structures and transport properties of nanoscale devices2013

    • Author(s)
      Tomoya Ono
    • Organizer
      CMSI International Satellite Meeting 2013"Novel Electronic Structure Method"
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2013 Final Research Report
  • [Presentation] First-principles study on transport property of defects at surface and interface2013

    • Author(s)
      Tomoya Ono
    • Organizer
      The 16^<th> Asian Workshop on First-principles Electronic Structure Calculations
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Final Research Report
  • [Presentation] First-principles study on electronic structures of defects on surface and interface2013

    • Author(s)
      Tomoya Ono
    • Organizer
      International Conference on Small Science
    • Place of Presentation
      Las Vegas, USA
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] First-principles electronic-structure and transport calculation formalism using real-space grid based method2013

    • Author(s)
      Tomoya Ono
    • Organizer
      Computational and theoretical analysis of grid-based quantum many-body theory
    • Place of Presentation
      Rhodes, Greece
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Real-space grid-based calculations for electronic structures and transport properties of nanoscale devices2013

    • Author(s)
      Tomoya Ono
    • Organizer
      CMSI International Satellite Meeting 2013 “Novel Electronic Structure Method”
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] First-principles study on transport property of defects at surface and interface2013

    • Author(s)
      Tomoya Ono
    • Organizer
      The 16th Asian Workshop on First-principles Electronic Structure Calculations
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] First-principles study on electron transport property of nanoscale systems2013

    • Author(s)
      Tomoya Ono
    • Organizer
      International Symposium of Computational Science 2013 Special Session [Spintronics: First-Principles Simulation & Measurement]
    • Place of Presentation
      Kanazawa, Japan
    • Related Report
      2012 Research-status Report
    • Invited
  • [Presentation] Scattering potentials of defects on Ge(001) surfaces2013

    • Author(s)
      Tomoya Ono
    • Organizer
      16th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
    • Place of Presentation
      Trieste, Italy
    • Related Report
      2012 Research-status Report
  • [Presentation] First-principles study on scattering potentials of defects on Ge(001) surfaces2013

    • Author(s)
      Tomoya Ono
    • Organizer
      APS March Meeting 2013
    • Place of Presentation
      Baltimore, Japan
    • Related Report
      2012 Research-status Report
  • [Presentation] First-principles study on transport properties of carbon based nano-systems2012

    • Author(s)
      Tomoya Ono
    • Organizer
      Material Simulation in Petaflops
    • Place of Presentation
      Kashiwa, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] Atomic configuration and transport property of electron-beam irradiated C60 film, International Symposium on Carbon Nanotube Nanoelectronics2012

    • Author(s)
      Tomoya Ono
    • Organizer
      International Symposium on Carbon Nanotube Nanoelectronics
    • Place of Presentation
      Nagoya, Japan
    • Related Report
      2012 Research-status Report
  • [Presentation] Fully spin-dependent transport property of graphene nanoflake2012

    • Author(s)
      Tomoya Ono
    • Organizer
      International Conference on Nanoscience + Technology
    • Place of Presentation
      Paris, France
    • Related Report
      2012 Research-status Report
  • [Presentation] First-principles transport calculation method using real-space finite-difference NEGF scheme2012

    • Author(s)
      Tomoya Ono
    • Organizer
      International Symposium on Computics: Quantum Simulation and Design
    • Place of Presentation
      Osaka, Japan
    • Related Report
      2012 Research-status Report
  • [Presentation] First-Principles Study on Scattering Potentials of Defects on Ge(001) Surfaces2012

    • Author(s)
      Tomoya Ono
    • Organizer
      15th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Taipei, Taiwan
    • Related Report
      2012 Research-status Report
  • [Presentation] First-principles study on transport properties of nanostructures2012

    • Author(s)
      Tomoya Ono
    • Organizer
      Core-to-core Groningen workshop 2012
    • Place of Presentation
      Groningen, The Netherlands
    • Related Report
      2012 Research-status Report
  • [Book] 第2章表面界面物性シミュレーション,超精密加工と表面科学2014

    • Author(s)
      小野倫也
    • Publisher
      大阪大学出版会
    • Related Report
      2013 Final Research Report

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

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