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Dynamical mean-field approach to non-local screening in core-excitation process and strongly correlated electron states

Research Project

Project/Area Number 16K05407
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Condensed matter physics I
Research InstitutionOsaka Prefecture University

Principal Investigator

Uozumi Takayuki  大阪府立大学, 工学(系)研究科(研究院), 教授 (80295724)

Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2018: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Keywords内殻X線分光 / 動的平均場 / 強相関電子系 / 非局所応答 / X線光電子分光 / 共鳴X線発光分光 / X線分光理論 / 偏光依存性 / ベイズ推定 / X線光電子分光 / 非局所遮蔽 / 共鳴X線発光分光 / 高分解能X線吸収 / X線分光 / 物性理論 / 磁性 / 光物性
Outline of Final Research Achievements

This proposal, aiming to clarify the electronic structure of the so called strongly correlated electron systems, constructs a new theoretical framework for the analysis of fine spectral features observed in core-level X-ray spectroscopies and confirms its efficiency through the systematic application to concrete systems. We construct a new framework by including dynamical mean field, which describes effectively the interaction among electrons, to the conventional framework, and, especially, clarify systematically the fine spectral features coming from the non-local screening mechanism in the 2p core-level photoemission of 3d transition metal compounds. We also find several new directions: a first-principles treatment of resonant X-ray emission spectroscopy (RXES) for rare-earth systems by paying attention on the incident photon polarization, transition-path decomposed RXES function for single- and poly crystals, and introduction of Bayesian inference to the X-ray spectroscopy analysis.

Academic Significance and Societal Importance of the Research Achievements

本研究では,新規に構築した動的平均場を考慮したスペクトル解析枠組みを用いることで,3d遷移金属化合物の2p内殻光電子分光に見られる微細構造が,軌道・磁気・電荷状態を反映した非局所電荷応答により説明できることを示した.これは,内殻光電子分光が,従来持たれている共通認識よりもさらに深い物理的内容を含むことを示した点で学術的意義があり,その視点でX線分光を見直すことで,今後の機能性材料開発につながるものと考えられ,その点において社会的意義がある.また,初めての試みである,X線分光解析へのベイズ推定の導入は,スペクトル微細構造解析による電子状態研究の枠組みをさらに強固なものにすると考える.

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (19 results)

All 2019 2018 2017 2016

All Journal Article (4 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 4 results) Presentation (15 results) (of which Int'l Joint Research: 2 results,  Invited: 1 results)

  • [Journal Article] LDA+DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds2017

    • Author(s)
      Hariki Atsushi、Uozumi Takayuki、Kunes Jan
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 4

    • DOI

      10.1103/physrevb.96.045111

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Spectral Change in 3d-4f Resonant Inelastic X-ray Scattering of Ce Intermetallics Across the Transition between Kondo Singlet and Localized-Spin State2017

    • Author(s)
      Sasabe Norimasa、Tonai Hironori、Uozumi Takayuki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 86 Issue: 9 Pages: 093701-093701

    • DOI

      10.7566/jpsj.86.093701

    • NAID

      40021314324

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Estimation of Ce 4f-5d Interaction by Analysis of Partial Fluorescence Yield at the Ce L3 Edge of CeO22017

    • Author(s)
      Tonai Hironori、Sasabe Norimasa、Uozumi Takayuki、Kawamura Naomi、Mizumaki Masaichiro
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 86 Issue: 9 Pages: 093704-093704

    • DOI

      10.7566/jpsj.86.093704

    • NAID

      210000134493

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Orbital- and spin-order sensitive nonlocal screening in Mn 2p X-ray photoemission of La_{1-x}Sr_xMnO_32016

    • Author(s)
      A. Hariki, A. Yamanaka, T. Uozumi
    • Journal Title

      Europhysics Letters

      Volume: 114 Issue: 2 Pages: 27003-27003

    • DOI

      10.1209/0295-5075/114/27003

    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Presentation] X線分光解析における電子-正孔対励起の効果2019

    • Author(s)
      安達孝太,魚住孝幸
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 内殻X線分光法によるAuCu3型構造Ce金属間化合物の混成強度とスペクトル構造の理論的研究2019

    • Author(s)
      雀部矩正,魚住孝幸
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] YbCo2Zn20における2p-4f遷移共鳴X線発光分光によるYb電子状態の研究2019

    • Author(s)
      河村直己,魚住孝幸,広瀬雄介,下笠諒平,本多史憲,水牧仁一朗,三村功次郎
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Ce化合物共鳴X線発光分光による近藤1重項形成プロセスの理論研究2018

    • Author(s)
      雀部矩正,魚住孝幸
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 内殻X線分光によるSmB6電子状態研究2018

    • Author(s)
      雀部矩正,魚住孝幸
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 不純物模型に基づくX線分光解析の進展と偏光依存性の理論2018

    • Author(s)
      魚住孝幸
    • Organizer
      SPRUC理論研究会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 共鳴X線発光分光における遷移パス分解スペクトル関数と3d系への応用II2018

    • Author(s)
      魚住孝幸,井上暁
    • Organizer
      日本物理学会 第73回年次大会
    • Related Report
      2017 Research-status Report
  • [Presentation] c-f混成相互作用に由来するX線分光偏光依存性の理論2017

    • Author(s)
      雀部矩正, 魚住孝幸
    • Organizer
      日本物理学会 第72回年次大会
    • Place of Presentation
      大阪大学 豊中キャンパス(大阪府・豊中市)
    • Year and Date
      2017-03-19
    • Related Report
      2016 Research-status Report
  • [Presentation] Theoretical study on polarization effect in resonant x-ray emission spectroscopy for 3d systems2017

    • Author(s)
      T. Uozumi, A. Hariki
    • Organizer
      アメリカ物理学会 March Meeting 2017
    • Place of Presentation
      Ernest N. Morial Convention Center, New Orleans(USA)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Ce金属間化合物の共鳴X線散乱における電子状態研究2017

    • Author(s)
      雀部矩正,魚住孝幸
    • Organizer
      日本物理学会 2017年秋季大会
    • Related Report
      2017 Research-status Report
  • [Presentation] 共鳴X線発光に対する遷移パス分解スペクトル関数と3d系への応用2017

    • Author(s)
      井上暁,魚住孝幸
    • Organizer
      日本物理学会 2017年秋季大会
    • Related Report
      2017 Research-status Report
  • [Presentation] 雀部矩正,魚住孝幸2017

    • Author(s)
      内殻X線分光におけるYb金属間化合物電子状態の理論研究
    • Organizer
      日本物理学会 2017年秋季大会
    • Related Report
      2017 Research-status Report
  • [Presentation] Spectral Change in 3d-4f Resonant Inelastic X-ray scattering of Ce intermetallics2017

    • Author(s)
      Norimasa Sasabe, Takayuki Uozumi
    • Organizer
      J-Physics 2017 : International Workshop on Multipole Physics and Related Phenomena (Iwate, Japan)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 内殻X線分光における多極子状態と近藤効果の理論研究2016

    • Author(s)
      雀部矩正, 魚住孝幸
    • Organizer
      日本物理学会 2016年秋季大会
    • Place of Presentation
      金沢大学 角間キャンパス(石川県・金沢市)
    • Year and Date
      2016-09-15
    • Related Report
      2016 Research-status Report
  • [Presentation] 多極子状態に由来するX線分光偏光依存性の理論2016

    • Author(s)
      雀部矩正, 魚住孝幸
    • Organizer
      日本物理学会 2016年秋季大会
    • Place of Presentation
      金沢大学 角間キャンパス(石川県・金沢市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report

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Published: 2016-04-21   Modified: 2020-03-30  

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