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Development of theoretical method toward molecular spintronic and electronic device design

Research Project

Project/Area Number 15K17465
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Thin film/Surface and interfacial physical properties
Research InstitutionThe University of Tokyo

Principal Investigator

Minamitani Emi  東京大学, 大学院工学系研究科(工学部), 講師 (00457003)

Project Period (FY) 2015-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2016: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2015: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywords分子磁性 / 近藤効果 / スピン軌道相互作用 / 数値くりこみ群 / 第一原理計算 / 磁性分子 / 分子スピン / 磁気異方性
Outline of Final Research Achievements

In order to reveal the magnetism in the molecules adsorbed on metal surface, we have developed theoretical method which can treat both characteristics of molecules and electron correlation effect, and apply this method to the elucidation of the Kondo effect, magnetic anisotropy in molecular-surface systems.
we have succeeded to build a flexible and efficient Numerical renormalization group simulation code which can handle various Kondo models. By using this code, I have carried out theoretical studies of magnetism in transition metal phthalocyanine on metal surfaces, for example, the Kondo effect induced by the collective spin in Mn-phthalocyanine molecule on Pb(111) surface, and competition between the spin-orbit interaction and the Kondo effect in Fe-phthalocyanine molecule on Au(111) surface.

Report

(3 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • Research Products

    (9 results)

All 2017 2016 2015

All Journal Article (4 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 4 results,  Acknowledgement Compliant: 3 results) Presentation (5 results) (of which Int'l Joint Research: 3 results,  Invited: 1 results)

  • [Journal Article] Controlled Modification of Superconductivity in Epitaxial Atomic Layer-Organic Molecule Heterostructures2017

    • Author(s)
      S. Yoshizawa, E. Minamitani, S. Vijayaraghavan, P. Mishra, Y. Takagi, T. Yokoyama, H. Oba, J. Nitta, K. Sakamoto, S. Watanabe, T. Nakayama, and T. Uchihashi
    • Journal Title

      Nano Lett.

      Volume: 17 Issue: 4 Pages: 2287-2293

    • DOI

      10.1021/acs.nanolett.6b05010

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Rashba Splitting in Image Potential State Investigated Using Circular Dichroism Two-Photon Photoemission Spectroscopy2016

    • Author(s)
      T. Nakazawa, N. Takagi, M. Kawai, H. Ishida, R. Arafune
    • Journal Title

      Physical Review B

      Volume: 117 Issue: 20 Pages: 205402-205402

    • DOI

      10.1103/physrevb.94.205402

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Spatially extended underscreened Kondo state from collective molecular spin2015

    • Author(s)
      Emi Minamitani, Ying-Shuang Fu, Qi-Kun Xue, Yousoo Kim, Satoshi Watanabe
    • Journal Title

      Physical Review B

      Volume: 92 Issue: 7 Pages: 075144-075144

    • DOI

      10.1103/physrevb.92.075144

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Electronic and magnetic effects of a stacking fault in cobalt nanoscale islands on the Ag (111) surface2015

    • Author(s)
      Keiji Doi, Emi Minamitani, Shunji Yamamoto, Ryuichi Arafune, Yasuo Yoshida, Satoshi Watanabe, Yukio Hasegawa
    • Journal Title

      Physical Review B

      Volume: 92 Issue: 6 Pages: 064421-064421

    • DOI

      10.1103/physrevb.92.064421

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Presentation] DFT+NRG study of competition between Kondo effect and spin-orbit interaction in a single molecule2016

    • Author(s)
      E. Minamitani, R. Hiraoka, R. Arafune, N. Tsukahara, S. Watanabe, M. Kawai and N. Takagi
    • Organizer
      The 19th Asian Workshop on First-Principles: Electronic Structure Calculations (ASIAN-19)
    • Place of Presentation
      Taiwan, National Chiao Tung University
    • Year and Date
      2016-10-31
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 吸着分子におけるスピン物性の理論2016

    • Author(s)
      南谷英美
    • Organizer
      応用物理学会秋季学術講演会
    • Place of Presentation
      新潟
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Tunable competition between Kondo effect and spin-orbit interaction in a single molecule2016

    • Author(s)
      E. Minamitani, R. Hiraoka, R. Arafune, N. Tsukahara, S. Watanabe, M. Kawai and N. Takagi
    • Organizer
      Towards Reality in Modeling of Molecular Electronics
    • Place of Presentation
      Spain, San-Sebastian
    • Year and Date
      2016-06-13
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 鉄フタロシアニン分子における 磁気異方性の有効模型による解析2016

    • Author(s)
      南谷英美、高木紀明、渡邉聡
    • Organizer
      日本物理学会第71回年次大会
    • Place of Presentation
      東北学院大学(宮城県仙台市)
    • Year and Date
      2016-03-19
    • Related Report
      2015 Research-status Report
  • [Presentation] DFT+NRG studies on the spatially extended Kondo effect in MnPc/Pb(111)2015

    • Author(s)
      Emi Minamitani, Yingshuang Fu, Qikun Xue, Yousoo Kim, Satoshi Watanabe
    • Organizer
      Psi-k 2015
    • Place of Presentation
      San Sebastian(Spain)
    • Year and Date
      2015-09-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research

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Published: 2015-04-16   Modified: 2018-03-22  

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