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Theoretical study of many-body effects in Hem protein -from a viewpoint of snchrotron radiation spectroscopy -

Research Project

Project/Area Number 25400335
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Condensed matter physics I
Research InstitutionNara Institute of Science and Technology (2014-2017)
Institute of Physical and Chemical Research (2013)

Principal Investigator

TAGUCHI Munetaka  奈良先端科学技術大学院大学, 物質創成科学研究科, 特任助教 (10415218)

Project Period (FY) 2013-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Keywords金属タンパク質 / 多体効果 / クラスター計算 / 共鳴軟X線発光分光 / 混合原子価状態 / 共鳴X線発光分光 / 共鳴X線発光分光 / 金属蛋白質
Outline of Final Research Achievements

The main purpose of this study was focusing on the many-body effect of iron Hem and discussing electronic states of the hem protein from a viewpoint of solid states physics. In this research, we first constructed a porphyrin cluster model. Next, we succeeded in computing x-ray core-level spectra of resonance soft X-ray emission spectroscopy, X-ray photoelectron spectroscopy and X-ray absorption spectroscopy based on the theoretical model. Last year that was the final year was planned to compare with the experimental spectrum, but the experimental progress was delayed. Therefore a direct comparison between experimental spectrum and theoretical calculation became impossible. Therefore, we changed the original plane. We examined how the electronic state changes as a function of the physical parameters.

We have also studied chromium oxide NaCr2O4 which has almost the same state as heme iron electronic state. This result was published in Physical Review B in January 2018.

Report

(6 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (11 results)

All 2017 2015 2014

All Journal Article (7 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 5 results,  Open Access: 2 results,  Acknowledgement Compliant: 1 results) Presentation (4 results) (of which Int'l Joint Research: 2 results,  Invited: 2 results)

  • [Journal Article] Unusual coexistence of negative and positive charge transfer in mixed-valence NaxCa1-xCr2O42017

    • Author(s)
      Taguchi M.、Yamaoka H.、Yamamoto Y.、Sakurai H.、Tsujii N.、Sawada M.、Daimon H.、Shimada K.、Mizuki J.
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 24

    • DOI

      10.1103/physrevb.96.245113

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Temperature Dependence of Magnetically Active Charge Excitations in Magnetite across the Verwey Transition2015

    • Author(s)
      M. Taguchi, A. Chainani, S. Ueda, M. Matsunami, Y. Ishida, R. Eguchi, S. Tsuda, Y. Takata, M. Yabashi, K. Tamasaku, Y. Nishino, T. Ishikawa, H. Daimon, S. Todo, H. Tanaka, M. Oura, Y. Senba, H. Ohashi, and S. Shin
    • Journal Title

      Physical Review Lettrers

      Volume: 115 Issue: 25

    • DOI

      10.1103/physrevlett.115.256405

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic structure evolution across the Peierls metal-insulator transition in a correlated ferromagnet2015

    • Author(s)
      P. A. Bhobe, A. Kumar, M. Taguchi, R. Eguchi, M. Matsunami, Y. Takatay, A. K. Nandy, P. Mahadevan, D. D. Sarma, A. Neroni, E. Saioglu, M. Lezaic, M. Oura, Y. Senba, H. Ohashi, K. Ishizaka, M. Okawa, S. Shin, K. Tamasaku, Y. Kohmura, M. Yabashi, T. Ishikawa, K. Hasegawa, M. Isobe, Y. Ueda, and A. Chainani
    • Journal Title

      Physical Review X

      Volume: 5 Issue: 4

    • DOI

      10.1103/physrevx.5.041004

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)42014

    • Author(s)
      T. Usui, Y. Tanaka, H. Nakajima, M. Taguchi, A. Chainani, M. Oura, S. Shin, N. Katayama, H. Sawa, Y. Wakabayashi, and T. Kimura
    • Journal Title

      Nature Materials

      Volume: 10 Issue: 6 Pages: 611-618

    • DOI

      10.1038/nmat3942

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Journal Article] Hard X-ray photoelectron spectroscopy of LixNi1-xO epitaxial thin films with a high lithium2014

    • Author(s)
      L. S. R. Kumara, O. Sakata, A. Yang, R. Yamauchi, M. Taguchi, A. Matsuda, and M. Yoshimoto
    • Journal Title

      The Journal of Chemical Physics

      Volume: 141 Issue: 4 Pages: 0447181-4

    • DOI

      10.1063/1.4891366

    • Related Report
      2014 Research-status Report
  • [Journal Article] Electronic structure of CeCuAs22014

    • Author(s)
      A. Chainani, M. Matsunami, M. Taguchi, R. Eguchi, Y. Takata, M. Oura, S. Shin, K. Sengupta, E. V. Sampathkumaran, Th. Doert, Y. Senba, H. Ohashi, K. Tamasaku, Y. Kohmura, M. Yabashi, and T. Ishikawa
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 23 Pages: 2351171-8

    • DOI

      10.1103/physrevb.89.235117

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Journal Article] Observation of a giant Kerr rotation in a ferromagnetic transition metal by M-edge resonant magneto-optic Kerr effect2014

    • Author(s)
      Sh. Yamamoto, M. Taguchi, M. Fujisawa, R. Hobara, S. Yamamoto, K. Yaji, T. Nakamura, K. Fujikawa, R. Yukawa, T. Togashi, M. Yabashi, M. Tsunoda, S. Shin, and I. Matsuda
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 6 Pages: 0644231-6

    • DOI

      10.1103/physrevb.89.064423

    • Related Report
      2014 Research-status Report
  • [Presentation] Revisiting the electronic structure of magnetite by hard X-ray photoelectron spectroscopy2015

    • Author(s)
      M. Taguchi, A. Chainani, S. Ueda, M. Matsunami, Y. Ishida, R. Eguchi, S. Tsuda, Y. Takata, M. Yabashi, K. Tamasaku, Y. Nishino, T. Ishikawa, H. Daimon, S. Todo, H. Tanaka, M. Oura, Y. Senba, H. Ohashi, and S. Shin
    • Organizer
      10th International Symposium on Atomic Level Characterizations
    • Place of Presentation
      Kunibiki Messe (Matsue, Shimane)
    • Year and Date
      2015-10-25
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Revising the Electronic Structure of Magnetite Fe3O4 by Hard X-ray Photoelectron Spectroscopy2015

    • Author(s)
      M. Taguchi, A. Chainani, S. Ueda, M. Matsunami, Y. Ishida, R. Eguchi, S. Tsuda, Y. Takata, M. Yabashi, K. Tamasaku, Y. Nishino, T. Ishikawa, H. Daimon, S. Todo, H. Tanaka, M. Oura, Y. Senba, H. Ohashi, and S. Shin
    • Organizer
      International Conference on Electron Spectroscopy and Structure: ICESS-15
    • Place of Presentation
      Stony Brook University (Stony Brook, USA)
    • Year and Date
      2015-09-28
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Theory of core-level x-ray spectroscopy for Fe based mixed-valence systems2015

    • Author(s)
      田口宗孝
    • Organizer
      Kick-off Workshop "Computing novel functions in low-dimensional systems"
    • Place of Presentation
      千葉大学(千葉県千葉市)
    • Year and Date
      2015-02-16
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] 混合原子価・価数搖動系の内殻X線分光の理論解析2014

    • Author(s)
      田口宗孝
    • Organizer
      日本物理学会 領域5,8合同シンポジウム
    • Place of Presentation
      東海大学、湘南キャンパス
    • Related Report
      2013 Research-status Report
    • Invited

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Published: 2014-07-25   Modified: 2020-05-15  

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