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2007 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も進めている。初年度の今年度は、プログラム整備、試験計算用のPCクラスタを設置し、コンパイラ、可視化ソフトウエアの導入など計算機環境を整えるとともに、上記の解析手法を用いてナノコンタクトの輸送特性のシミュレーション解析を開始した。特に、半導体や貴金属等のナノコンタクトの輸送特性について解析し、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

    (28 results)

All 2008 2007

All Journal Article (7 results) (of which Peer Reviewed: 7 results) Presentation (21 results)

  • [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

      Journal of Physics Conference Series 100

      Pages: 052062(1-4)

    • Peer Reviewed
  • [Journal Article] Length dependence of effect of electrode contact on transport properties of semicounducting carbon nanotubes2007

    • Author(s)
      N.Kobayashi, T.Ozaki, K.Hirose
    • Journal Title

      Surface Science 601

      Pages: 4131-4133

    • Peer Reviewed
  • [Journal Article] Effects of atomic-scale contacts on transport properties through single molecules-an initio study2007

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

      Surface Science 601

      Pages: 4113-4116

    • Peer Reviewed
  • [Journal Article] Time-dependent wave-packet approach to the quantum transport of carbonanotubes with vacancies2007

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

      Surface Science 601

      Pages: 5266-5269

    • Peer Reviewed
  • [Journal Article] Ab initio RTM/NECF study on electron transport through single molecules2007

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

      Physica E 40

      Pages: 237-240

    • Peer Reviewed
  • [Journal Article] Electron-phonon Coupling Effect on Quantum Transport in Carbon Nanotubes using Time-dependdent Wave-packet approach2007

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

      Physica E 40

      Pages: 249-252

    • Peer Reviewed
  • [Journal Article] Quantum transport properties of carbon nanotube field-effect transistors with electron-phonon coupling2007

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

      Physical Review B 76

      Pages: 205432(1-7)

    • Peer Reviewed
  • [Presentation] 第一原理計算による51原子細線の電子輸送解析2008

    • Author(s)
      日下裕幸・小林伸彦
    • Organizer
      春季第55回応用物理学関連連合会講演会
    • Place of Presentation
      日本大学
    • Year and Date
      2008-03-27
  • [Presentation] カーボンナノチューブの輸送特性における電子ーフオノン散乱の効果2008

    • Author(s)
      石井宏幸・小林伸彦・広瀬賢二
    • Organizer
      物理学会第 63 回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-23
  • [Presentation] カーボンナ/チューブの輸送特性における電極接合効果の第一原理電気伝導計算2008

    • Author(s)
      小林伸彦・尾崎泰助・広瀬賢二
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-23
  • [Presentation] 分子ワイヤの抵抗の理論ーコンタクトと内部抵抗一2008

    • Author(s)
      広瀬賢二・小林伸彦
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-23
  • [Presentation] First-principles calculations of effects of metallic electrode contacts on transport properties of carbon nanotubes2008

    • Author(s)
      N, Kobayashi・T, Ozaki・K, Hirose
    • Organizer
      2008 American Physical Society March Meeting
    • Place of Presentation
      New Orleans
    • Year and Date
      2008-03-12
  • [Presentation] Transport properties of molecular wires from ab initio calculations2008

    • Author(s)
      K, Hirose・N, Kobayashi
    • Organizer
      2008 American Physical Society March Meeting
    • Place of Presentation
      New Orleans
    • Year and Date
      2008-03-10
  • [Presentation] Electron-phonon scattering effects on transport properties of carbon nanotube devices using time-dependent wave-packet approach2008

    • Author(s)
      H, Ishii・N, Kobayashi・K, Hirose
    • Organizer
      2008 American Physical Society March Meeting
    • Place of Presentation
      New Orleans
    • Year and Date
      2008-03-10
  • [Presentation] Ab initio study on transport properties of molecular wires2007

    • Author(s)
      K, Hirose・N, Kobayashi
    • Organizer
      International Symposium onAdvanced Nanodevices and Nanotechnology
    • Place of Presentation
      Waikaloa,Hawaii
    • Year and Date
      2007-12-04
  • [Presentation] Acoustic and optical phonon scattering effects on quantum transport properties of carbon-nanotube devices2007

    • Author(s)
      H, Ishii・N, Kobayashi・K, Hirose
    • Organizer
      International Symposium onAdvanced Nanodevices and Nanotechnology
    • Place of Presentation
      Waikaloa,Hawaii
    • Year and Date
      2007-12-04
  • [Presentation] First principles study of quantum transport in nanocontacts2007

    • Author(s)
      N, Kobayashi・T, Ozaki・K, Hirose
    • Organizer
      International Symposium onAdvanced Nanodevices and Nanotechnology
    • Place of Presentation
      Waikaloa,Hawaii
    • Year and Date
      2007-12-04
  • [Presentation] First-principles study of Effects of Metallic Electrode Contacts on Transport Properties of Carbon Nanotubes2007

    • Author(s)
      N, Kobayashi・T, Ozaki・K, Hirose
    • Organizer
      9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
    • Place of Presentation
      Tokyo
    • Year and Date
      2007-11-11
  • [Presentation] Transport of Single Molecules and Molecular Wires-ab initio study-2007

    • Author(s)
      K, Hirose・N, Kobayashi
    • Organizer
      9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
    • Place of Presentation
      Tokyo
    • Year and Date
      2007-11-11
  • [Presentation] Contact and phonon scattering effects on quantum transport properties of carbon-nanotube field-effect transistors2007

    • Author(s)
      H, Ishii・N, Kobayashi・K, Hirose
    • Organizer
      9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
    • Place of Presentation
      Tokyo
    • Year and Date
      2007-11-11
  • [Presentation] Atomistic Theory of Quantum Transport in Nanoscale Systems2007

    • Author(s)
      N, Kobayashi・H, Ishii・T, Ozaki・K, Hirose
    • Organizer
      International 21st Century COE Symposium on Atomistic Fabrication Technology 2007
    • Place of Presentation
      Osaka
    • Year and Date
      2007-10-17
  • [Presentation] 第一原理電気伝導計算によるカーボンナノチューブの輸送特性における電極接合効果の研究2007

    • Author(s)
      小林伸彦・尾崎泰助・広瀬賢二
    • Organizer
      日本物理学第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-24
  • [Presentation] 単一分子伝導における電場遮蔽・バイアス降下についての理論研究2007

    • Author(s)
      広瀬賢ニ・小林伸彦
    • Organizer
      日本物理学第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-24
  • [Presentation] 時間依存波束拡散法によるCNTトランジスタの伝導特性2007

    • Author(s)
      石井宏幸・小林伸彦・広瀬賢二
    • Organizer
      日本物理学第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-22
  • [Presentation] First-principles study of quantum transport in single molecules between metallic electrodes2007

    • Author(s)
      N, Kobayashi
    • Organizer
      The International workshop on Electron transport through a linked molecules in nano-scale
    • Place of Presentation
      Tokyo
    • Year and Date
      2007-08-19
  • [Presentation] Ab inito study of effect of metallic electrode contact on quantum transport in carbon nanotubes2007

    • Author(s)
      N, Kobayashi・T, Ozaki・K, Hirose
    • Organizer
      17th International Vacuum Congress, 13th International Conference on Surface science, International Conference on Nano Science and Technology
    • Place of Presentation
      Stockholm Sweden
    • Year and Date
      2007-07-04
  • [Presentation] Effects of contacts to electrodes and phonon scattering on transport of carbon nanotube devices2007

    • Author(s)
      H, Ishii・N, Kobayashi・K, Hirose
    • Organizer
      17th International Vacuum Congress, 13th International Conference on Surface science, International Conference on Nano Science and Technology
    • Place of Presentation
      Stockholm Sweden
    • Year and Date
      2007-07-03
  • [Presentation] Ab initio calculations for the single molecule conduction,17th International Vacuum Congress2007

    • Author(s)
      K, Hirose・N, Kobayashi
    • Organizer
      13th International Conference on Surface Science, International Conference on Nano Science and Technology
    • Place of Presentation
      Stockholm Sweden
    • Year and Date
      2007-07-02

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Published: 2010-02-04   Modified: 2016-04-21  

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