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2008 Fiscal Year Annual Research Report

ナノコンタクトの量子輸送シミュレーション

Research Project

Project/Area Number 19681010
Research InstitutionUniversity of Tsukuba

Principal Investigator

小林 伸彦  University of Tsukuba, 大学院・数理物質科学研究科, 准教授 (10311341)

Keywordsナノコンタクト / 量子輸送 / 第一原理計算
Research Abstract

ナノスケール系の量子輸送特性は、コンダクタンスの量子化など量子効果が顕著に現れ学術的に興味深いとともに、ナノスケールトランジスタやナノ配線材料への応用研究のために重要な研究課題である。そこで、非平衡開放系の密度汎関数理論に基づく第一原理電気伝導計算手法を用いてナノコンタクトの量子輸送特性を解析している。そのための方法論として第一原理リカージョン伝達行列法、積分方程式を用いた第一原理電気伝導計算法、非平衡グリーン関数法等の計算理論の整備を進めている。今年度は、試験計算用のPCクラスタの増設、シミュレーション可視化システムの整備など計算機環境の増強を行うとともに、上記の解析手法を用いてSiナノコンタクトやナノ炭素系に対する輸送特性を解析し、コンダクタンス、伝導チャネル数、伝導チャネルの透過率、原子軌道との関係、バイアス電圧依存性等について明らかにした。

  • Research Products

    (25 results)

All 2009 2008

All Journal Article (6 results) (of which Peer Reviewed: 6 results) Presentation (19 results)

  • [Journal Article] DFT Analysis of Quantum Transport in Si Atom Wire under Finite Bias Voltage2009

    • Author(s)
      H. Kusaka, N. Kobayashi
    • Journal Title

      e-J. Surf. Sci. Nanotech 7

      Pages: 17-20

    • Peer Reviewed
  • [Journal Article] First-principles calculation of electron transport in Si atom wire2009

    • Author(s)
      H. Kusaka, N. Kobayashi
    • Journal Title

      J. Vac. Sci. Technol 27

      Pages: 810-812

    • Peer Reviewed
  • [Journal Article] Quantum electron transport through carbon nanotubes with electron-phonon couplin2009

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Journal Title

      J. Vac. Sci. Technol 27

      Pages: 882-886

    • Peer Reviewed
  • [Journal Article] Effects of contacts to electrodes and phonon scattering on transport of carbon-nanotube devices2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Journal Title

      J. Phys. Conf. 100

      Pages: 052062(1-4)

    • Peer Reviewed
  • [Journal Article] Contact and phonon scattering effects on quantum transport properties of carbon nanotube field-effect transistors2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Journal Title

      Appl. Surf. Sci 254

      Pages: 7600-7603

    • Peer Reviewed
  • [Journal Article] Time-Dependent Wave-Packet Diffusion Method for Quantum Transport Calculation : From Diffusive to Ballistic Regimes2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Journal Title

      App. Phys. Express 1

      Pages: 123002(1-3)

    • Peer Reviewed
  • [Presentation] カーボンナノチューブ伝導でのフォノン効果の計算一拡散領域・バリスティック領域と位相緩和-2009

    • Author(s)
      石井宏幸、Stephan Roche、小林伸彦、広瀬賢二
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学
    • Year and Date
      2009-03-30
  • [Presentation] 分子ワイヤの電気伝導における電極効果とフォノン散乱}ごよる局所加熱・局所温度の理論研究2009

    • Author(s)
      広瀬賢二、小林伸彦
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学
    • Year and Date
      2009-03-30
  • [Presentation] カーボンナノチューブの電気伝導におけるゲート電極効果2009

    • Author(s)
      小林伸彦、尾崎泰助、広瀬賢二
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学
    • Year and Date
      2009-03-29
  • [Presentation] Ab initio transport calculations of molecular wires with electron-phonon couplings2009

    • Author(s)
      K. Hirose, N. Kobayashi
    • Organizer
      2009 American Physical Society March Meeting
    • Place of Presentation
      Pittsburgh
    • Year and Date
      2009-03-17
  • [Presentation] Effect of gate electrode contact on transport properties of carbon nanotubes2009

    • Author(s)
      N. Kobayashi, T.Ozaki, K.Hirose
    • Organizer
      2009 American Physical Society March Meeting
    • Place of Presentation
      Pittsburgh
    • Year and Date
      2009-03-16
  • [Presentation] Electron-phonon scattering effects on transport properties of carbon nanotubes-From diffusive to ballistic regimes2009

    • Author(s)
      H. Ishii., N. Kobayashi, K.Hirose
    • Organizer
      2009 American Physical Society March Meeting
    • Place of Presentation
      Pittsburgh
    • Year and Date
      2009-03-16
  • [Presentation] Quantum Transport Properties of Graphene Nano Ribbon2009

    • Author(s)
      H. Takaki, N. Kobayashi
    • Organizer
      International Symposium on Nanoscience and Quantum Physics, nanoPHYS'09
    • Place of Presentation
      Tokyo
    • Year and Date
      2009-02-23
  • [Presentation] Electron-phonon scattering effects on transport properties of micron-size carbon nanotubes2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Organizer
      3th Advanced Heterostructures and Nanostructures Workshop-Workshop on Innovative Nanoscale Devices and Systems(AHNW13)
    • Place of Presentation
      Hawaii
    • Year and Date
      2008-12-09
  • [Presentation] Diffusive and ballistic electron transport through carbon nanotubes with electron-phonon scattering2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Organizer
      International Symposium on Surface Science and Nanotechnologv (ISSS-5)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-11-12
  • [Presentation] Phonon Vibration and its Effect on Electronic Structure of Carbon Nanotubes2008

    • Author(s)
      S. Takemoto, H. Ishii, N. Kobay ashi
    • Organizer
      International Symposium on Surface Science and Nanotechnologv (ISSS-5)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-11-11
  • [Presentation] DFT analysis of quantum transport in Si atom wire under finite bias voltage2008

    • Author(s)
      H. Kusaka, N. Kobayashi
    • Organizer
      International Symposium on Surface Science and Nanotechnologv (ISSS-5)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-11-11
  • [Presentation] Si原子鎖の第一原理電子輸送解析2008

    • Author(s)
      日下裕幸、小林伸彦
    • Organizer
      日本物理学会2008年秋季大会
    • Place of Presentation
      岩手
    • Year and Date
      2008-09-21
  • [Presentation] カーボンナノチューブのフォノン散乱が引き起こす拡散伝導現象2008

    • Author(s)
      石井宏幸、小林伸彦、広瀬賢二
    • Organizer
      日本物理学会2008年秋季大会
    • Place of Presentation
      岩手
    • Year and Date
      2008-09-21
  • [Presentation] 分子ワイヤの伝導における電子・フォノン相互作用の理論計算2008

    • Author(s)
      広瀬賢二、小林伸彦
    • Organizer
      日本物理学会2008年秋季大会
    • Place of Presentation
      岩手
    • Year and Date
      2008-09-21
  • [Presentation] Phonon scattering effects on quantum electron transport properties through carbon nanotubes2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Organizer
      he 25th European Conference on Surface Science (ECOSS 25)
    • Place of Presentation
      Liverpool
    • Year and Date
      2008-07-28
  • [Presentation] First-Principles Calculation of Electron Transport in Si Atom Wire,2008

    • Author(s)
      H. Kusaka, N.Kobayashi
    • Organizer
      International Conference on Nanoscience+Techno logy (ICN+T 2008)
    • Place of Presentation
      Colorado
    • Year and Date
      2008-07-23
  • [Presentation] Effect of Metallic Electrode Contacts on Quantum Transport Properties of Carbon Nanotube,2008

    • Author(s)
      N. Kobayashi, T. Ozaki, K. Hiro se
    • Organizer
      International Conference on Nanoscience+Techno logy (ICN+T 2008)
    • Place of Presentation
      Colorado
    • Year and Date
      2008-07-22
  • [Presentation] Calculations of Electrical Transport through Molecular Wires and Carbon Nanotubes2008

    • Author(s)
      K. Hirose, N. Kobayashi
    • Organizer
      International Conference on Nanoscience+Techno logy (ICN+T 2008)
    • Place of Presentation
      Colorado
    • Year and Date
      2008-07-22
  • [Presentation] Quantum Electron Transport through Carbon Nanotubes with Electron-Phonon Coupling2008

    • Author(s)
      H. Ishii, N. Kobayashi, K.Hirose
    • Organizer
      International Conference on Nanoscience+Technology (ICN+T 2008)
    • Place of Presentation
      Colorado
    • Year and Date
      2008-07-22

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Published: 2010-06-11   Modified: 2016-04-21  

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