Dynamical mean-field approach to non-local screening in core-excitation process and strongly correlated electron states
| Project/Area Number |
16K05407
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Condensed matter physics I
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| Research Institution | Osaka Prefecture University |
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Principal Investigator |
Uozumi Takayuki 大阪府立大学, 工学(系)研究科(研究院), 教授 (80295724)
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| 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)
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| 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 |
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| 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.
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| 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．
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Report
(4 results)
Research Products
(19 results)
