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Highly accurate electronic structure calculations for the Mott transition with multiple degrees of freedom

Research Project

Project/Area Number 23540359
Research Category

Grant-in-Aid for Scientific Research (C)

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

Principal Investigator

TOMITA Norikazu  山形大学, 理学部, 教授 (70290848)

Project Period (FY) 2011-04-28 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Keywords多自由度系 / モット転移 / 共鳴Hartree-Fock法 / 非断熱的効果 / 格子 / 量子揺らぎ / 非断熱効果 / 光電子分光 / 2光子光電子分光 / 多体効果 / 多自由度 / 強相関電子系 / 光物性 / 電子相関
Outline of Final Research Achievements

Correlated materials with multiple degrees of freedom, such as charge, spin, orbital, and lattice, have potentials for technological application. However highly accurate theoretical description has been quite difficult so far. We have developed a new theoretical framework to describe such correlated materials and clarified their detailed electronic structures. First, we have pointed out that the exchange interaction of the on-site and different orbitals can break the band degeneracy of SrVO3 which has three degenerate orbitals.
Then we have clarified the electronic structures of conducting polymers. The relationship between the conductivity and the lattice structure has been an open question for a long time. We have succeeded to treat the lattice quantum mechanically and beyond the adiabatic application by using the coherent state representation of phonons. We have pointed out that the lattice distortion survives even after they behave as a simple metal.

Report

(5 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (28 results)

All 2015 2014 2013 2012 2011 Other

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Open Access: 1 results) Presentation (20 results) (of which Invited: 2 results) Remarks (1 results)

  • [Journal Article] Real Time Relaxation Dynamics of Macroscopically Photo-Excited Electrons toward the Fermi Degeneracy Formation in the Conduction Band of Semiconductors2015

    • Author(s)
      H. Ohnishi, N. Tomita and K. Nasu
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 84 Issue: 4 Pages: 043701-043701

    • DOI

      10.7566/jpsj.84.043701

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Visualization of quantum electronic and lattice fluctuations in the Hubbard model by using a resonating Hartree-Fock method2013

    • Author(s)
      Norikazu Tomita, Shuji Watanabe, Keisuke Shida, H Gomi and A Takahashi
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 410 Pages: 012159-012159

    • DOI

      10.1088/1742-6596/410/1/012159

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Resonating Hartree-Fock studies on the electronic structures of the two-dimensional hole-doped Hubbard model2013

    • Author(s)
      Shuji Watanabe, Masahiko Katoh and Norikazu Tomita
    • Journal Title

      Journal of Physical Society of Japan

      Volume: 82 Issue: 4 Pages: 044705-044705

    • DOI

      10.7566/jpsj.82.044705

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Time-Dependent Configuration Interaction Approach for Multielectron System Confined in Two-Dimensional Quantum Dot2013

    • Author(s)
      Takuma Okunishi, Richard Clark, Kyozaburo Takeda, Koichi Kusakabe, and Norikazu Tomita
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 52 Issue: 2R Pages: 022801-022801

    • DOI

      10.7567/jjap.52.022801

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Resonating Hartree-Fock Studies on magnetic states in the Hubbard model on the uniform triangular lattice2011

    • Author(s)
      T. Maruyama, F. Sato and N. Tomita
    • Journal Title

      Journal of Physics, Conference Series

      Volume: 320 Pages: 12061-12061

    • DOI

      10.1088/1742-6596/320/1/012061

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] Group-theoretical and resonating Hartree-Fock studies for spin fluctuations in two-dimensional Hubbard model on triangular lattice2011

    • Author(s)
      F. Satoh, T. Maruyama, M. Ozaki and N. Tomita
    • Journal Title

      Physical Review B

      Volume: 84 Issue: 24 Pages: 245101-245101

    • DOI

      10.1103/physrevb.84.245101

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] 共鳴Hartree-Fock法を用いた量子揺らぎの視覚化2011

    • Author(s)
      富田憲一、渡辺秀治、丸山貴昭
    • Journal Title

      日本物理学会誌

      Volume: 66 Pages: 430-434

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Presentation] 伝導帯電子のクーロン相互作用による2電子型谷間散乱の理論2015

    • Author(s)
      大西宏昌、富田憲一、那須奎一郎
    • Organizer
      日本物理学会2015年年次大会
    • Place of Presentation
      早稲田大学
    • Year and Date
      2015-03-21 – 2015-03-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 光励起された伝導帯電子のフェルミ縮退形成ダイナミクスの理論研究II2014

    • Author(s)
      大西宏昌、富田憲一、那須奎一郎
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      中部大学
    • Year and Date
      2014-09-07 – 2014-09-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theory on two-photon photoemission spectroscopy2014

    • Author(s)
      N. Tomita
    • Organizer
      Collaborative Conference on Materials Research 2014
    • Place of Presentation
      Seoul, South Korea
    • Year and Date
      2014-06-23 – 2014-06-27
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 時間分解・2光子光電子分光の理論~伝導帯に光励起された電子がFermi面 を形成するまで~2014

    • Author(s)
      富田憲一
    • Organizer
      日本物理学会第69回年次大会シンポジウム講演
    • Place of Presentation
      東海大学
    • Related Report
      2013 Research-status Report
  • [Presentation] 光励起された伝導帯電子のFermi縮退形成ダイナミクスの理論研究2014

    • Author(s)
      大西宏昌,富田憲一,那須奎一郎
    • Organizer
      日本物理学会第69回年次大会
    • Place of Presentation
      東海大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Visualization of quantum fluctuations due to electron-electron and electron-phonon interactions2013

    • Author(s)
      Norikazu Tomita
    • Organizer
      Collaborative Conference on Materials Research
    • Place of Presentation
      Ramada Hotel, Jeju, Korea
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 光励起された伝導帯電子のFermi 縮退形成へ向かう時間発展と2光子光電子分光の理論2013

    • Author(s)
      富田憲一,大西宏昌,那須奎一郎
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Research-status Report
  • [Presentation] 1次元Su-Schrieffer-Heeger型電子格子相互作用を伴った拡張ハバードモデルにおける電子と格子の量子揺らぎ2013

    • Author(s)
      桐原遼史,志田佳祐,五味広喜,高橋聡,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Research-status Report
  • [Presentation] 電子と格子の大きな量子揺らぎの視覚化2013

    • Author(s)
      志田佳祐,桐原遼史,五味広喜,高橋聡,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Research-status Report
  • [Presentation] 2次元正方格子系のコヒーレント状態表示を用いた格子構造の最適化2013

    • Author(s)
      志田佳祐,桐原遼史,五味広喜,高橋聡,富田憲一
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 一次元電子格子系における電子と格子の量子揺らぎ2013

    • Author(s)
      桐原遼史,志田佳祐,五味広喜,高橋聡,松枝宏明,富田憲一
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Research-status Report
  • [Presentation] ドープされた2次元Hubbardモデルにおけるキャリアーの可視化:電子ドープ系とホールドープ系の相違点2013

    • Author(s)
      渡辺秀治,服部和幸,富田憲一
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Visualization of quantum electronic and lattice fluctuations in the Hubbard model by using Resonating Hartree-Fock method2012

    • Author(s)
      Norikazu Tomita
    • Organizer
      IC-MSQUARE2012
    • Place of Presentation
      The Mercure Budapest Korona Hotel, Budapest, Hungary
    • Related Report
      2012 Research-status Report
  • [Presentation] 共鳴Hartree-Fock法を用いた電子ドープハバードモデルの基底状態解析2012

    • Author(s)
      志田佳祐,桐原遼史,五味広喜,高橋聡,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      横浜国立大学
    • Related Report
      2012 Research-status Report
  • [Presentation] Su-Schrieffer-Heeger モデルにおける量子格子ゆらぎの視覚化2012

    • Author(s)
      桐原遼史,志田佳祐,五味広喜,高橋聡,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      横浜国立大学
    • Related Report
      2012 Research-status Report
  • [Presentation] 共鳴Hartree-Fock法を用いた電子ドープハバードモデルの基底状態の研究2012

    • Author(s)
      服部和幸,富田憲一
    • Organizer
      日本物理学会2012年年会
    • Place of Presentation
      関西学院大学
    • Related Report
      2011 Research-status Report
  • [Presentation] Visulaization of quantum fluctuations in the strongly correlated electron systems2011

    • Author(s)
      Norikazu Tomita
    • Organizer
      CORPES11
    • Place of Presentation
      Berkeley, USA
    • Related Report
      2011 Research-status Report
  • [Presentation] 電子ドープ系における銅酸化物高温超伝導体の振る舞い2011

    • Author(s)
      服部和幸,渡辺秀治,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      富山大学
    • Related Report
      2011 Research-status Report
  • [Presentation] SrVO3の光電子分光に対する新解釈2011

    • Author(s)
      富田憲一,大西宏昌,那須奎一郎
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      富山大学
    • Related Report
      2011 Research-status Report
  • [Presentation] DODS型Hartree-Fock-Bogoliubov理論の定式化2011

    • Author(s)
      志田佳祐,大西宏昌,富田憲一
    • Organizer
      日本物理学会秋の分科会
    • Place of Presentation
      富山大学
    • Related Report
      2011 Research-status Report
  • [Remarks] 山形大学 物性理論 研究室

    • URL

      http://sci.kj.yamagata-u.ac.jp/~tomita/Tomita%27s_Home_Page_j.html

    • Related Report
      2013 Research-status Report

URL: 

Published: 2011-08-05   Modified: 2020-05-15  

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