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Adiabatic approximation violation on electronic structure due to quantum effect of hydrogen

Research Project

Project/Area Number 25620009
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Physical chemistry
Research InstitutionUniversity of Tsukuba

Principal Investigator

SEKIBA Daiichiro  筑波大学, 数理物質系, 講師 (20396807)

Co-Investigator(Kenkyū-buntansha) HARADA Yoshihisa  東京大学, 物性研究所, 准教授 (70333317)
MATSUO Motoaki  東北大学, 金属材料研究所, 講師 (20509038)
Co-Investigator(Renkei-kenkyūsha) FUKUTANI Katsuyuki  東京大学, 生産技術研究所, 教授 (10228900)
ORIMO Shinichi  東北大学, 金属材料研究所, 教授 (40284129)
TATEYAMA Yoshitaka  物質・材料研究機構, MANA独立研究者 (70354149)
SODEYAMA Keitaro  物質・材料研究機構, NIMSポスドク研究員 (40386610)
Project Period (FY) 2013-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2014: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords水素 / 断熱近似 / 軟X線発光分光 / 軟X線ラマン散乱 / 第一原理計算 / 非断熱効果 / 電子状態 / 発光分光
Outline of Final Research Achievements

A comparative study on the electronic structure between Mg2FeH6 and Mg2FeD6 was made by means of synchrotron radiation. The resonant excitation from Fe2p to unoccupied states, which induces inelastic X-ray scatterings, was used. We observed 2.6 eV Raman shift ascribed to the electronic Raman scatterings and also the vibronic Raman scatterings with ~ 100 meV shifts. A vibronic scattering can be attributed to the Fe-H or Fe-D symmetric stretch mode due to the clear isotope effect with the factor of root mean square of 2. The second excitation also appears on the spectra. This implies the strong electron-phonon coupling in this system. A large isotope effect is also seen on the electronic Raman shift. The origin is, however, still an open question, which requires further experiments.

Report

(3 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • Research Products

    (5 results)

All 2015 2013 Other

All Journal Article (3 results) (of which Peer Reviewed: 3 results) Presentation (1 results) Remarks (1 results)

  • [Journal Article] Multi-Phonon Excitations in Fe 2p RIXS on Mg2FeH62015

    • Author(s)
      Keisuke Kurita, Daiichiro Sekiba, Isao Harayama, Kenta Chito, Yoshihisa Harada, Hisao Kiuchi, Masaharu Oshima, Shigeyuki Takagi, Motoaki Matsuo, Ryutaro Sato, Katsutoshi Aoki, and Shin-ichi Orimo
    • Journal Title

      Journal of The Physical Society of Japan

      Volume: 84

    • NAID

      210000133491

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Antithrombogeniciry of Amorphous deuterated carbon film prepared by RF-plasma CVD2013

    • Author(s)
      K. Ozeki, D. Sekiba, K.K. Hrakuri, T. Masuzawa
    • Journal Title

      Nano Biomedinine

      Volume: 5 Pages: 11-17

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Influence of the source gas ratio on the hydrogen and deuterium content of a-C:H and a-C:D films: Plasma-enhanced CVD with CH4/H2, CH4/D2, CD4/H2 and CD4/D22013

    • Author(s)
      K. Ozeki, D. Sekiba, T. Suzuki, K. Kanda, M. Niibe, K.K. Hirakuri, T. Masuzawa
    • Journal Title

      Applied Surface Science

      Volume: 265 Pages: 750-757

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Ultra high resolution Resonance Inelastic soft X-ray Scattering for Mg2FeH62013

    • Author(s)
      K. Kurita, D. Sekiba, I. Harayama, K. Chito, Y. Harada, H. Kiuchi, C. Sakai, M. Oshima, K. Sodeyama, Y. Tateyama, R. Sato, M. Matsuo, S. Orimo
    • Organizer
      8th International Conference on Inelastic X-ray Scattering
    • Place of Presentation
      SLAC National Accelerator Laboratory Menlo Park, California, USA
    • Related Report
      2013 Research-status Report
  • [Remarks] 水素・量子アトミクス研究室(関場研究室)

    • URL

      http://www.tac.tsukuba.ac.jp/~sekiba/

    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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