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Multiply-extreme nano-photonics developed by first-principles calculation

Research Project

Project/Area Number 20H02649
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 30020:Optical engineering and photon science-related
Research InstitutionUniversity of Tsukuba

Principal Investigator

Yabana Kazuhiro  筑波大学, 計算科学研究センター, 教授 (70192789)

Co-Investigator(Kenkyū-buntansha) 植本 光治  神戸大学, 工学研究科, 助教 (90748500)
Project Period (FY) 2020-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥17,420,000 (Direct Cost: ¥13,400,000、Indirect Cost: ¥4,020,000)
Fiscal Year 2023: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2022: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2021: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥5,980,000 (Direct Cost: ¥4,600,000、Indirect Cost: ¥1,380,000)
Keywords非線形光応答 / ナノフォトニクス / 第一原理計算 / 高強度超短パルスレーザー / アト秒科学 / 高次高調波発生 / プラズモニクス / 時間依存密度汎関数理論 / レーザー科学 / 超高速現象 / 高強度場科学 / 量子流体模型 / 斜方入射 / 2次元物質 / 可飽和吸収 / メタ表面
Outline of Research at the Start

本研究は、物質科学の第一原理計算手法に基づく新しい光物質科学の計算方法を開発して、極限的なパルス光とナノ構造体の相互作用で起こる多様な非線形光応答現象を理解することを目的とする。計算手法は私たちのグループで開発を進めているオープンソースソフトウェアSALMONに取り入れ、スーパーコンピュータを用いて計算を行なう。特に時間・空間・場の強度という3つの軸を自在に操作することで可能となる特徴的な光応答を探求し、それを活かした新奇な光デバイス原理に繋がる知見を獲得することを目指す。

Outline of Final Research Achievements

For nonlinear optical responses and ultrafast electron dynamics caused by the interaction of intense ultrashort pulsed light with nano-sized materials, we have developed a computational method that combines real-time calculations of electron dynamics based on first principles method in materials science with electromagnetic field analysis method that describes light propagation. Using this method, we have elucidated the nonlinear interactions that occur in the interaction of pulsed light with thin films and nanostructures, particularly the generation of higher harmonics and their nonlinear light propagation. In addition, quantum effects and nonlinear optical responses appearing in the plasmons of metallic nanoparticles were investigated.

Academic Significance and Societal Importance of the Research Achievements

本研究で発展させた理論と計算手法は、原子スケールから経験的パラメータを用いることなく非線形光応答と超高速電子ダイナミクスを調べることを可能とし、基礎と応用の両面で急速に発展する高強度超短パルスレーザーを用いた研究の発展に重要な役割を果たすものである。本研究で開発された計算コードはオープンソースソフトウェアSALMONに実装し、当該分野の研究コミュニティで自由に活用できるよう整備を進めている。

Report

(5 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • Research Products

    (50 results)

All 2024 2023 2022 2021 2020 Other

All Int'l Joint Research (2 results) Journal Article (14 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 13 results,  Open Access: 4 results) Presentation (34 results) (of which Int'l Joint Research: 22 results,  Invited: 19 results)

  • [Int'l Joint Research] オーストラリア国立大学(オーストラリア)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] CEA(フランス)

    • Related Report
      2022 Annual Research Report
  • [Journal Article] Subcycle control of valley-selective excitations via the dynamical Franz-Keldysh effect in a WSe2 monolayer2023

    • Author(s)
      Shunsuke Yamada, Kazuhiro Yabana, Tomohito Otobe
    • Journal Title

      Physical Review B

      Volume: 108 Issue: 3 Pages: 035404-035404

    • DOI

      10.1103/physrevb.108.035404

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Enhancement of valley-selective excitation by a linearly polarized two-color laser pulse2023

    • Author(s)
      Hashmi Arqum、Yamada Shunsuke、Yabana Kazuhiro、Otobe Tomohito
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 23 Pages: 1-7

    • DOI

      10.1103/physrevb.107.235403

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] 第一原理計算による半導体ナノ構造の非線形光学効果のシミュレーション2023

    • Author(s)
      木原康輝、松浦豪介、山田俊介、植本光治
    • Journal Title

      第34回光物性研究会論文集

      Volume: 34 Pages: 235-238

    • Related Report
      2023 Annual Research Report
  • [Journal Article] Propagation effects in high-harmonic generation from dielectric thin films2023

    • Author(s)
      Yamada Shunsuke、Otobe Tomohito、Freeman David、Kheifets Anatoli、Yabana Kazuhiro
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 3 Pages: 035132-035132

    • DOI

      10.1103/physrevb.107.035132

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Electron spill-out effect on third-order optical nonlinearity of metallic nanostructure2022

    • Author(s)
      Takeuchi Takashi、Yabana Kazuhiro
    • Journal Title

      Physical Review A

      Volume: 106 Issue: 6 Pages: 063517-063517

    • DOI

      10.1103/physreva.106.063517

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-order harmonic generation in semiconductors driven at near- and mid-infrared wavelengths2022

    • Author(s)
      Freeman David、Kheifets Anatoli、Yamada Shunsuke、Yamada Atsushi、Yabana Kazuhiro
    • Journal Title

      Physical Review B

      Volume: 106 Issue: 7 Pages: 075202-075202

    • DOI

      10.1103/physrevb.106.075202

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] First-principles method for nonlinear light propagation at oblique incidence2022

    • Author(s)
      Uemoto Mitsuharu、Yabana Kazuhiro
    • Journal Title

      Optics Express

      Volume: 30 Issue: 13 Pages: 23664-23664

    • DOI

      10.1364/oe.460096

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electron dynamics in α-quartz induced by two-color 10-femtosecond laser pulses2022

    • Author(s)
      Duchateau Guillaume、Yamada Atsushi、Yabana Kazuhiro
    • Journal Title

      Physical Review B

      Volume: 105 Issue: 16 Pages: 165128-165128

    • DOI

      10.1103/physrevb.105.165128

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Nonlinear dynamics of electromagnetic field and valley polarization in WSe2 monolayer2022

    • Author(s)
      H. Hashmi, S. Yamada, A. Yamada, K. Yabana, T. Otobe
    • Journal Title

      Applied Physics Letters

      Volume: 120 Issue: 5 Pages: 051108-051108

    • DOI

      10.1063/5.0077235

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Valley polarization control in WSe2 monolayer by a single-cycle laser pulse2022

    • Author(s)
      H. Hashmi, S. Yamada, A. Yamada, K. Yabana, T. Otobe
    • Journal Title

      Physical Review B

      Volume: 105 Issue: 11 Pages: 115403-115403

    • DOI

      10.1103/physrevb.105.115403

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Numerical scheme for a nonlinear optical response of a metallic nanostructure: quantum hydrodynamic theory solved by adopting an effective Schrodinger equation2022

    • Author(s)
      T. Takeuchi, K. Yabana
    • Journal Title

      Optics Express

      Volume: 30 Issue: 7 Pages: 11572-11587

    • DOI

      10.1364/oe.455639

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Determining the optimum thickness for high harmonic generation from nanoscale thin films: An ab initio computational study2021

    • Author(s)
      S. Yamada, K. Yabana
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 15 Pages: 155426-155426

    • DOI

      10.1103/physrevb.103.155426

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study of ultrafast and nonlinear optical properties of graphite thin films2021

    • Author(s)
      Uemoto Mitsuharu、Kurata Shintaro、Kawaguchi Norihito、Yabana Kazuhiro
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 8 Pages: 085433-085433

    • DOI

      10.1103/physrevb.103.085433

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Extremely large third-order nonlinear optical effects caused by electron transport in quantum plasmonic metasurfaces with subnanometer gaps2020

    • Author(s)
      T. Takeuchi, K. Yabana
    • Journal Title

      Scientific Reports

      Volume: 10 Issue: 1 Pages: 21270-21270

    • DOI

      10.1038/s41598-020-77909-y

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] Simulation of harmonic generation in silicon nanocylinder2024

    • Author(s)
      G. Matsuura, K. Kihara, S. Yamada, M. Uemoto
    • Organizer
      JAIST International symposium on Nano-Materials for Novel Devices
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 第一原理電子ダイナミクス計算の非線形ナノフォトニクスシミュレーション2024

    • Author(s)
      植本光治
    • Organizer
      レーザー学会学術講演会第44回年次大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] シリコンナノ構造による高調波発生シミュレーション II2024

    • Author(s)
      植本 光治、木原 康輝、松浦 豪介、山田 俊介
    • Organizer
      2024年第71回応用物理学会春季学術講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Nonlinear propagation of high-intensity pulsed light - First-principles calculations -2023

    • Author(s)
      A. Yamada, S. Yamada, K. Yabana
    • Organizer
      CLEO2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Propagation of extreme pulsed light - First-principles computational study -2023

    • Author(s)
      K. Yabana
    • Organizer
      10th Int. Symptoms. on Ultrafast Dynamics & Ultrafast Bandgap Photonics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Computational optical science at the atomic scale - First-principles approach -2023

    • Author(s)
      K. Yabana
    • Organizer
      34th IUPAP Conference on Computational Physics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Development of first-principles computational method for nonlinear/nonlocal nano photonics2023

    • Author(s)
      K. Yabana
    • Organizer
      13th Int. Conf. on Advanced Materials and Devices
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] アト秒科学と第一原理電子ダイナミクス計算2023

    • Author(s)
      矢花一浩
    • Organizer
      レーザー学会学術講演会第44回年次大会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] シリコンナノ構造による高調波発生シミュレーション2023

    • Author(s)
      松浦 豪介、木原 康輝、植本 光治
    • Organizer
      第84回応用物理学会秋季学術講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 第一原理計算による半導体ナノ構造の非線形光学効果のシミュレーション2023

    • Author(s)
      木原康輝、松浦豪介、山田俊介、植本光治
    • Organizer
      第34回光物性研究会
    • Related Report
      2023 Annual Research Report
  • [Presentation] First-principles electromagnetics simulation for nonlinear nanophotonics: method and applications2023

    • Author(s)
      M. Uemoto, K. Yabana
    • Organizer
      9th International Conference on Antennas and Electromagnetic Systems
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Propagation and energy transfer of intense and ultrashort laser pulse in solids: First-principles computational approach2023

    • Author(s)
      Yabana Kazuhiro
    • Organizer
      SPIE Photonics West, LAMOM XXVIII
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 高強度パルス光の伝搬とエネルギー移行の第一原理計算2023

    • Author(s)
      矢花一浩
    • Organizer
      レーザー学会学術講演会第43回年次大会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] フェムト秒レーザーから物質へのエネルギー移行過程に対する第一原理計算2023

    • Author(s)
      矢花一浩
    • Organizer
      令和5年電気学会全国大会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 非線形ナノフォトニクスのための第一原理シミュレーション2023

    • Author(s)
      植本光治、木原康輝
    • Organizer
      第70回応用物理学会春季学術講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Maxwell-TDDFT simulation for high-field propagation dynamics2022

    • Author(s)
      Yabana Kazuhiro
    • Organizer
      Optica Incubator on On-Chip High-Field Nanophotonics
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First-principles calculations of ultrafast dynamics in solids2022

    • Author(s)
      Yabana Kazuhiro
    • Organizer
      15th Asia Pacific Physics Conference
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] TDDFT for extreme optics: nonlinearity and nonlocality2022

    • Author(s)
      Yabana Kazuhiro
    • Organizer
      9th Workshop on TDDFT: Prospects and Applications
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent density functional theory for extreme nonlinear optics2022

    • Author(s)
      Yabana Kazuhiro
    • Organizer
      23rd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算によるIII-V族化合物半導体の非線形光学効果のシミュレーション2022

    • Author(s)
      木原康輝、植本光治
    • Organizer
      第33回光物性研究会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Ab Initio Simulations of Ultrafast Phenomena in Solids: State of the Art and Challenges2022

    • Author(s)
      K. Yabana
    • Organizer
      First Int. Conf. on Scientific Opportunities with Advanced Attosecond Lasers
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Ab initio description of ultrafast dynamics in solids2021

    • Author(s)
      K. Yabana
    • Organizer
      CLEO Europe
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent density functional theory for extremely nonlinear optics2021

    • Author(s)
      K. Yabana
    • Organizer
      International Conference: Advanced Laser Technologies
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Real-time TDDFT coupled with Maxwell equations for light-propagation through thin films2021

    • Author(s)
      K. Yabana
    • Organizer
      Theory days on New computational methods for electron dynamics
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] フェムト秒レーザーから物質への エネルギー移行の第一原理計算2021

    • Author(s)
      矢花一浩
    • Organizer
      レーザー学会東京支部セミナー
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] The most efficient thickness of Si nano film for high-harmonic generation2021

    • Author(s)
      S. Yamada and K. Yabana
    • Organizer
      APS March Meeting 2021,online,
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Optical properties of plasmonic metasurface with sub-nm gaps - Extremely large third-order nonlinear optical effects caused by electron transports2021

    • Author(s)
      T. Takeuchi and K. Yabana
    • Organizer
      APS March Meeting 2021, online,
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Huge 3rd-order Nonlinearity in Plasmonic Metasurface with Sub-nm Gap - Theoretical investigation based on TDDFT with Jellium Model2020

    • Author(s)
      T. Takeuchi, K. Yabana
    • Organizer
      The 16th international conference on Near-field Optics, Nanophotonics & Related Techniques (Online)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] サブnmギャップを有するプラズモニックメタ表面の非線形光学応答解析 ―電子輸送に基づく非線形性の増強―2020

    • Author(s)
      竹内嵩、矢花一浩
    • Organizer
      第81回応用物理学会秋季学術講演会 (オンライン)
    • Related Report
      2020 Annual Research Report
  • [Presentation] 半導体ナノ薄膜における高次高調波発生の第一原理計算2020

    • Author(s)
      山田俊介、矢花一浩
    • Organizer
      日本物理学会2020年秋季大会 (オンライン)
    • Related Report
      2020 Annual Research Report
  • [Presentation] Performance Evaluation of Electron Dynamics Simulation in Supercomputer Fugaku2020

    • Author(s)
      Kazuhiro Yabana
    • Organizer
      12th symposium on Discovery, Fusion, Creation of New Knowledge by Multidisciplinary Computational Sciences
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Multi-scale Simulation Method for Ultrafast Electoron-Ion Dynamics in Dielectrics2020

    • Author(s)
      Kazuhiro Yabana
    • Organizer
      2020 SSRL/LCLS Users Meeting
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Large-Scale Ab Initio Calculation of Ultrafast Dynamics in Thin-Film Dielectrics2020

    • Author(s)
      Yabana Kazuhiro,Hirokawa Yuta, Yamada Atsushi, Yamada Shunsuke, Noda Masashi, Uemoto Mitsuharu, Boku Taisuke
    • Organizer
      The 22nd International Conference on Ultrafast Phenomena, online,
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Symmetry aspects of attosecond transient absorption spectroscopy in a dielectric crystal2020

    • Author(s)
      Shunsuke Yamada, Kazuhiro Yabana
    • Organizer
      The 22nd International Conference on Ultrafast Phenomena, online,
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research

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Published: 2020-04-28   Modified: 2025-01-30  

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