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First-principles calculations for femto/atto-second electron dynamics in solids

Research Project

Project/Area Number 23340113
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionUniversity of Tsukuba

Principal Investigator

YABANA Kazuhiro  筑波大学, 数理物質系, 教授 (70192789)

Research Collaborator OTOBE Tomohito  日本原子力研究開発機構, 関西光科学研究所, 研究副主幹 (60421442)
Project Period (FY) 2011-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥19,500,000 (Direct Cost: ¥15,000,000、Indirect Cost: ¥4,500,000)
Fiscal Year 2014: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2013: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2012: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2011: ¥9,360,000 (Direct Cost: ¥7,200,000、Indirect Cost: ¥2,160,000)
Keywords時間依存密度汎関数理論 / レーザー科学 / マルチスケールシミュレーション / アト秒科学 / 超高速現象 / フェムト秒レーザー / 非線形光学 / 高強度パルスレーザー / 第一原理計算 / 電子ダイナミクス / 高強度超短パルスレーザー / コヒーレントフォノン / 超並列計算
Outline of Final Research Achievements

We have developed first-principles computational methods to describe interactions between light pulses and materials based on time-dependent density functional theory. We have also developed a novel multi-scale simulation method combining dynamics of electrons and electromagnetic fields of light, and have succeeded to establish a theoretical basis to describe wide varieties of phenomena relevant to light-matter interactions. As interactions between extreme light pulses and solids, we have analyzed phenomena such as coherent phonon generations, ultrafast changes of dielectric properties, ultrafast electric currents which appear in transparent materials, variations in time of band gap of semiconductors, and the threshold and depth of ablations induced by femtosecond laser pulses.

Report

(5 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • Research Products

    (22 results)

All 2014 2013 2012

All Journal Article (11 results) (of which Peer Reviewed: 11 results,  Acknowledgement Compliant: 1 results) Presentation (9 results) (of which Invited: 6 results) Book (2 results)

  • [Journal Article] Particle-number projection method in time-dependent Hartree-Fock theory : Properties of reaction products2014

    • Author(s)
      K. Sekizawa, K. Yabana
    • Journal Title

      Physical Review C

      Volume: 90 Issue: 6

    • DOI

      10.1103/physrevc.90.064614

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Attosecond band-gap dynamics in silicon2014

    • Author(s)
      Martin Schultze, Krupa Ramasesha, C.D. Pemmaraju, S.A. Sato, D. Whitmore, A. Gandman, James S. Prell, L. J. Borja, D. Prendergast, K. Yabana, Daniel M. Neumark, and Stephen R. Leone
    • Journal Title

      Science

      Volume: 346 Issue: 6215 Pages: 1348-1352

    • DOI

      10.1126/science.1260311

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dielectric response of laser-excited silicon at finite electron temperature2014

    • Author(s)
      S.A. Sato, Y. Shinohara, T. Otobe, K. Yabana
    • Journal Title

      Physical Review B

      Volume: 90 Issue: 17 Pages: 174303-174303

    • DOI

      10.1103/physrevb.90.174303

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Ab-initio simulation of electrical currents induced by ultrafast laser excitation of dielectric materials2014

    • Author(s)
      Georg Wachter, Christoph Lemell, Joachim Burgdorfer, Shunsuke A. Sato, Xiao-Min Tong, Kazuhiro Yabana
    • Journal Title

      Physical Review Letters

      Volume: 113 Issue: 8 Pages: 087401-087401

    • DOI

      10.1103/physrevlett.113.087401

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids2014

    • Author(s)
      Shunsuke A. Sato, Kazuhiro Yabana
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 22 Pages: 224305-224305

    • DOI

      10.1103/physrevb.89.224305

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size2014

    • Author(s)
      M. Noda, K. Ishimura, K.Nobusada, K. Yabana, T. Boku
    • Journal Title

      J. Comput. Phys.

      Volume: 265 Pages: 145-155

    • DOI

      10.1016/j.jcp.2014.02.006

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse2014

    • Author(s)
      Kyung-Min Lee, Chul Min Kim, Shunsuke A. Sato, Tomohito Otobe, Yasushi Shinohara, Kazuhiro Yabana and Tae Moon Jeong
    • Journal Title

      Journal of Applied Physics

      Volume: 115 Issue: 5

    • DOI

      10.1063/1.4864662

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Numerical pump-probe experiments of laser-excited silicon in nonequilibrium phase2014

    • Author(s)
      S. A. Sato, K. Yabana, Y. Shinohara, T. Otobe, and G. F. Bertach
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 6

    • DOI

      10.1103/physrevb.89.064304

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonadiabatic generation of coherent phonons2012

    • Author(s)
      Yasushi Shinohara
    • Journal Title

      Journal of Chemical Physics

      Volume: 137 Issue: 22

    • DOI

      10.1063/1.4739844

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 第一原理計算で探るコヒーレントフォノンの生成機構2012

    • Author(s)
      篠原康、乙部智仁、岩田潤一、矢花一浩
    • Journal Title

      日本物理学会誌

      Volume: 67

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent density functional theory for strong electromagnetic fields in crystalline solids2012

    • Author(s)
      K. Yabana, et al.
    • Journal Title

      Physical Review B

      Volume: 85 Issue: 4 Pages: 45134-45134

    • DOI

      10.1103/physrevb.85.045134

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] First-principles description of strong electromagnetic fields in solids2014

    • Author(s)
      K. Yabana
    • Organizer
      APS Meeting 2014
    • Place of Presentation
      Colorado Convention Center, Denver, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Maxwell + TDDFT multiscale simulation for strong electromagnetic fields in solids2014

    • Author(s)
      K. Yabana
    • Organizer
      Quantum Dynamics Research Meeting
    • Place of Presentation
      Vanderbilt University, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Multiscale description for strong electromagnetic fields in solids2013

    • Author(s)
      K. Yabana
    • Organizer
      Gordin Research Conference on TDDFT
    • Place of Presentation
      University of New England, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Time-Dependent Density Functional Theory for Intense Laser Pulse Propagation in Solids2012

    • Author(s)
      K.Yabana
    • Organizer
      3rd Int.CQSE Workshop on Atomic, Molecular and Ultrafast Science and Technology
    • Place of Presentation
      国立台湾大学(招待講演)
    • Year and Date
      2012-01-08
    • Related Report
      2011 Annual Research Report
  • [Presentation] Ab-initio theory for intense laser pulses in solids2012

    • Author(s)
      K. Yabana
    • Organizer
      Korean Physical Society 2012 Spring Meeting
    • Place of Presentation
      Daejeon, Korea
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Ab-initio theory for intense lasere pulses in solids2012

    • Author(s)
      K. Yabana
    • Organizer
      6th International Conference on Laser Probing
    • Place of Presentation
      Paris, France
    • Related Report
      2012 Annual Research Report
  • [Presentation] Real-time electron dynamics in solids under strong electromagnetic fields2012

    • Author(s)
      K. Yabana
    • Organizer
      ISSP-CMSI International Workshop/Symposium on Material Simulation in Petaflops era (MASP2012)
    • Place of Presentation
      Kashiwa, Japan
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Ab-initio description for the interaction of intense laser pulses with solids2012

    • Author(s)
      K. Yabana
    • Organizer
      Frontiers in Intense Laser-Matter Interaction Theory (FILMITh)
    • Place of Presentation
      Garching, Germany
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Multi-scale first-principles approach for strong electromagnetic fields in solids2012

    • Author(s)
      K. Yabana
    • Organizer
      Int. Symp. on Computics: Quantum Simulation and Design
    • Place of Presentation
      Osaka, Japan
    • Related Report
      2012 Annual Research Report
  • [Book] Advances in Multi-Photon Processes and Spectroscopy Vol. 21, pp.209-244y2014

    • Author(s)
      K. Yabana, Y. Shinohara, T. Otobe, J.-I. Iwata, G.F. Bertsch
    • Total Pages
      46
    • Publisher
      World Scientific
    • Related Report
      2014 Annual Research Report
  • [Book] Advances in Multi-Photon Processes and Spectroscopy: Volume 212014

    • Author(s)
      K. Yabana, Y. Shinohara, T. Otobe, J.-I. Iwata, G.F. Bertsch
    • Total Pages
      60
    • Publisher
      World Scientific
    • Related Report
      2013 Annual Research Report

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Published: 2011-04-06   Modified: 2019-07-29  

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