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Mechanism of phase transitions in novel molecular conductors and transition metal oxides by constructing and analyzing effective models

Research Project

Project/Area Number 21740270
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Condensed matter physics II
Research InstitutionThe Institute of Physical and Chemical Research

Principal Investigator

SEO Hitoshi  独立行政法人理化学研究所, 古崎物性理論研究室, 専任研究員 (30415054)

Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2009: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords物性理論 / 分子性導体 / 遷移金属酸化物 / 相転移 / 磁性 / 金属絶縁体転移 / 電荷秩序 / 新規物質
Research Abstract

In order to clarify the origin of novel phase transitions in molecular conductors and transition metal oxides, we have constructed effective models based on ab initio(first principles) band calculations. By considering electron correlation and electron-phonon interaction we succeeded in deriving microscopic models for several materials, and in proposing mechanism of unsolved problems of spin and charge ordering by model analyses.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (33 results)

All 2012 2011 2010 2009 Other

All Journal Article (15 results) (of which Peer Reviewed: 15 results) Presentation (15 results) Book (2 results) Remarks (1 results)

  • [Journal Article] Tuning the magnetic dimension-ality by charge ordering in the molecular TMTTF salts2012

    • Author(s)
      吉見一慶、妹尾仁嗣、石橋章司、Stuart E. Brown
    • Journal Title

      Physical Review Letters

      Volume: Vol.108, No.9

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Tuning the magnetic dimensionality by charge ordering in the molecular TMTTF salts2012

    • Author(s)
      吉見一慶
    • Journal Title

      Physical Review Letters

      Volume: (掲載確定)

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin frustration, charge ordering, and enhanced antiferromagnetism in TMTTF2SbF62012

    • Author(s)
      吉見一慶
    • Journal Title

      Physica B

      Volume: (印刷中) Issue: 11 Pages: 1783-1786

    • DOI

      10.1016/j.physb.2012.01.029

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Finite temperature neutral-ionic transition and lattice dimerization in charge-transfer complexes : QMC study2012

    • Author(s)
      大塚雄一
    • Journal Title

      Physica B

      Volume: (印刷中) Issue: 11 Pages: 1793-1795

    • DOI

      10.1016/j.physb.2012.01.031

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Incom-mensurate Antiferromagnetic Insulat-ing State in(MDT-TS)(AuI_2)_x2011

    • Author(s)
      吉岡英生、妹尾仁嗣、大塚雄一
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: Vol.80, No.12

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Incommensurate Antiferromagnetic Insulating State in (MDT-TS)(AuI2)_x2011

    • Author(s)
      吉岡英生
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 80 Issue: 12 Pages: 123702-123702

    • DOI

      10.1143/jpsj.80.123702

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-Orbital Molecular Compound (TTM-TTP) I3 : Effective Model and Fragment Decomposition2011

    • Author(s)
      土射津昌久
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 80

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Finite-Temperature Properties across the Charge Ordering Transition-Combined Bosonization, Renormaliza-tion Group, and Numerical Methods-2010

    • Author(s)
      吉岡英生、土射津昌久、大塚雄一、妹尾仁嗣
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: Vol.79, No.9

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Finite-Temperature Properties across the Charge Ordering Transition-Combined Bosonization, Renormalization Group, and Numerical Methods-2010

    • Author(s)
      吉岡英生
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 79

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Charge ordering due to π-d coupling in one-dimensional system2010

    • Author(s)
      大塚雄一
    • Journal Title

      Physica B

      Volume: 405

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Broken symmetry states in quasi-one-dimensional molecular conductors-competitions, co-existences, and frustration-2010

    • Author(s)
      妹尾仁嗣
    • Journal Title

      Physica B

      Volume: 405

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spiral charge frustration in molecular conductor DI-DCNQI_2Ag2009

    • Author(s)
      妹尾仁嗣、求幸年
    • Journal Title

      Physical Review Letters

      Volume: Vol.102, No.19

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Spiral charge frustration in molecular conductor DI-DCNQI_2Ag2009

    • Author(s)
      妹尾仁嗣
    • Journal Title

      Physical Review Letters 102

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Charge ordering due to π-d coupling in one-dimensional system

    • Author(s)
      大塚雄一
    • Journal Title

      Physica B (in press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Broken symmetry states in quasi-one-dimensional molecular conductors-competitions, co-existences, and frustration-

    • Author(s)
      妹尾仁嗣
    • Journal Title

      Physica B (in press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] (Cation)[Pd(dmit)2]2の有効モデルと電荷秩序安定性2012

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      関西学院大学
    • Year and Date
      2012-03-24
    • Related Report
      2011 Annual Research Report
  • [Presentation] Multi-orbital Hubbard model and magnetic ground states in M(tmdt)_22011

    • Author(s)
      妹尾仁嗣
    • Organizer
      9th International Symposium on Crystalline Organic Metals, Super-conductors and Ferromagnets(ISCOM 2011)
    • Place of Presentation
      Gniezno Poland
    • Year and Date
      2011-09-26
    • Related Report
      2011 Final Research Report
  • [Presentation] Multi-orbital Hubbard model and magnetic ground states in M(tmdt)22011

    • Author(s)
      妹尾仁嗣
    • Organizer
      9th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2011)
    • Place of Presentation
      Gniezno, Poland
    • Year and Date
      2011-09-26
    • Related Report
      2011 Annual Research Report
  • [Presentation] M(tmdt)2 (M=Au,Cu)における軌道混成と磁気的性質2011

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会2011秋季大会
    • Place of Presentation
      富山大学
    • Year and Date
      2011-09-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] M(tmdt)2 (M=Ni,Au,Cu)の多軌道モデル化と磁気状態2011

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会第66回年次大会
    • Place of Presentation
      新潟
    • Year and Date
      2011-03-27
    • Related Report
      2010 Annual Research Report
  • [Presentation] π-d Mixed Multiband Nature and Magnetic Structure of Single-Component Molecular Conductors2010

    • Author(s)
      妹尾仁嗣
    • Organizer
      International Conference on Conducting Materials 2010 (ICoCoM2010)
    • Place of Presentation
      Sousse, Tunisia
    • Year and Date
      2010-11-05
    • Related Report
      2010 Annual Research Report
  • [Presentation] Single-Component Molecular Metals : p-d Mixed Multiband System2010

    • Author(s)
      妹尾仁嗣
    • Organizer
      International Conference on Science and Technology of Synthetic Metals(ICSM2010)
    • Place of Presentation
      京都国際会館
    • Year and Date
      2010-07-06
    • Related Report
      2011 Final Research Report
  • [Presentation] Single-Component Molecular Metals : p-d Mixed Multiband System2010

    • Author(s)
      妹尾仁嗣
    • Organizer
      International Conference on Science and Technology of Synthetic Metals (ICSM2010)
    • Place of Presentation
      京都
    • Year and Date
      2010-07-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] 単一成分分子性導体Cu(tmdt)_2の有効モデルとp-d混成2010

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学
    • Year and Date
      2010-03-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] 分子導体の電荷秩序と誘電性2010

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学
    • Year and Date
      2010-03-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] Molecular Ensemble 20092009

    • Author(s)
      妹尾仁嗣
    • Organizer
      Effective Models and Charge, Spin, Lattice Orderings in Molecular Conductors、Symposium
    • Place of Presentation
      理化学研究所
    • Year and Date
      2009-12-09
    • Related Report
      2011 Final Research Report
  • [Presentation] Effective Models and Charge, Spin, Lattice Orderings in Molecular Conductors2009

    • Author(s)
      妹尾仁嗣
    • Organizer
      Symposium "Molecular Ensemble 2009"
    • Place of Presentation
      理化学研究所
    • Year and Date
      2009-12-09
    • Related Report
      2009 Annual Research Report
  • [Presentation] β-A_<1/3>V_2O_5(A=Na, Sr)の有効モデル構築と電荷スピン秩序化2009

    • Author(s)
      妹尾仁嗣
    • Organizer
      日本物理学会
    • Place of Presentation
      熊本大学
    • Year and Date
      2009-09-27
    • Related Report
      2009 Annual Research Report
  • [Presentation] Broken symmetry states in quasi-one-dimensional molecular con-ductors-competitions, co-existences, and frustration-2009

    • Author(s)
      妹尾仁嗣
    • Organizer
      8th International Symposium on Crystalline Organic Metals, Superconductors and Ferro-magnets(ISCOM2009)
    • Place of Presentation
      ニセコヒルトンホテル
    • Year and Date
      2009-09-17
    • Related Report
      2011 Final Research Report
  • [Presentation] Broken symmetry states in quasi-one-dimensional molecular conductors-competitions, co-existences, and frustration-2009

    • Author(s)
      妹尾仁嗣
    • Organizer
      8th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets
    • Place of Presentation
      ニセコヒルトンホテル
    • Year and Date
      2009-09-17
    • Related Report
      2009 Annual Research Report
  • [Book] 動的構造解析技術と非平衡物質開発の最前線2009

    • Author(s)
      妹尾仁嗣
    • Publisher
      シーエムシー出版
    • Related Report
      2011 Final Research Report
  • [Book] 動的構造解析技術と非平衡物質開発の最前線2009

    • Author(s)
      腰原伸也
    • Publisher
      シーエムシー出版
    • Related Report
      2009 Annual Research Report
  • [Remarks]

    • URL

      http://www.riken.jp/lab-www/cond-mat-theory/seo/index.html

    • Related Report
      2011 Final Research Report

URL: 

Published: 2009-04-01   Modified: 2020-05-15  

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