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Development of the microscopic theory on anomalous electronic states in hollandite-type transition-metal oxides

Research Project

Project/Area Number 22540363
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionChiba University

Principal Investigator

OHTA Yukinori  千葉大学, 大学院・理学研究科, 教授 (70168954)

Co-Investigator(Renkei-kenkyūsha) KONISHI Takehisa  千葉大学, 大学院・融合科学研究科, 准教授 (40302525)
SHIRAKAWA Tomonori  独立行政法人理化学研究所, 柚木計算物性物理研究室, 特別研究員 (40571237)
Project Period (FY) 2010 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords強相関系 / 物性理論 / 強相関電子系 / ホランダイト / 金属絶縁体転移 / 磁性 / 遷移金属酸化物 / 変分クラスター近似 / 電荷軌道秩序
Research Abstract

We study the mechanisms of anomalous electronic properties of transition-metal oxides with hollandite-type crystal structure. We use the first-principles electronic structure calculations based on the density functional theory as well as the model calculations based on the variational cluster approximation and density-matrix renormalization group method. We in particular clarify the origin of the quasi-one-dimensional electronic state of ruthenium oxide, mechanism of the perfect ferromagnetism and metal-insulator transition in chromium oxide, and mechanism of the formation of the superatomic crystal in molybdenum oxide.

Report

(4 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (36 results)

All 2013 2012 2011 2010 Other

All Journal Article (24 results) (of which Peer Reviewed: 24 results) Presentation (10 results) Remarks (2 results)

  • [Journal Article] Ground-state phase diagram of the asymmetric Hubbard model with geometrical frustration2013

    • Author(s)
      S. Yamaki, K. Seki, and Y. Ohta
    • Journal Title

      Physical Review B

      Volume: 87 Issue: 12

    • DOI

      10.1103/physrevb.87.125112

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Orthorhombic-to-Monoclinic Phase Transition of Ta_2NiSe_5 Induced by the Bose-Einstein Condensation of Excitons2013

    • Author(s)
      T. Kaneko, T. Toriyama, Y. Ohta, and T.Konishi
    • Journal Title

      Phys. Rev

      Volume: B87 Issue: 3

    • DOI

      10.1103/physrevb.87.035121

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] 強磁性金属絶縁体転移-完全スピン分極した電子系のパイエルス転移-2012

    • Author(s)
      上田寛,中尾朗子,中尾裕則,太田幸則
    • Journal Title

      日本物理学会誌(最近の研究から)

      Volume: 67巻8号 Pages: 571-575

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] 強磁性のまま絶縁体の酸化物2012

    • Author(s)
      太田幸則
    • Journal Title

      日本セラミックス協会刊「セラミックス」

      Volume: Vol. 47 Pages: 379-379

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Exact Wavefunction of the One-Dimensional Double-Exchange Model with One Electron2012

    • Author(s)
      K. Nakano, R. Eder, and Y. Ohta
    • Journal Title

      Int. J. Mod. Phys

      Volume: B26 Issue: 30 Pages: 1250154-1250154

    • DOI

      10.1142/s0217979212501548

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Double Exchange Ferromagnetism in the Peierls Insulator State2012

    • Author(s)
      S. Nishimoto and Y. Ohta
    • Journal Title

      Phys. Rev. Lett

      Volume: 109 Issue: 7

    • DOI

      10.1103/physrevlett.109.076401

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Excitonic insulator state in the two-orbital Hubbard model : Variational cluster approach2012

    • Author(s)
      T. Kaneko, K. Seki, and Y. Ohta
    • Journal Title

      Physical Review B

      Volume: 85 Issue: 16

    • DOI

      10.1103/physrevb.85.165135

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Hollandite Ruthenate K_2Ru_8O_<16> as a New Tomonaga-Luttinger- Liquid System2012

    • Author(s)
      T. Toriyama, M. Watanabe, T. Konishi, and Y. Ohta
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 400 Issue: 4 Pages: 042063-042063

    • DOI

      10.1088/1742-6596/400/4/042063

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mechanism of the Metal-Insulator Transition of Hollandite Vanadate K2V8O162012

    • Author(s)
      T. Toriyama, T. Konishi, and Y. Ohta
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 400 Issue: 3 Pages: 032104-032104

    • DOI

      10.1088/1742-6596/400/3/032104

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous Electronic States of Hollandite-Type Transition- Metal Oxides2012

    • Author(s)
      Y. Ohta, T. Toriyama, M. Sakamaki, and T. Konishi
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 400 Issue: 3 Pages: 032070-032070

    • DOI

      10.1088/1742-6596/400/3/032070

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Exact Wave Functions and Excitation Spectra of the One-Dimensional Double- Exchange Model with One Mobile Electron2012

    • Author(s)
      K. Nakano, R. Eder, and Y. Ohta
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 400 Issue: 3 Pages: 032063-032063

    • DOI

      10.1088/1742-6596/400/3/032063

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Excitation Spectra of the One- Dimensional Double-Exchange Model: An Exact Solution for One Mobile Electron2012

    • Author(s)
      K. Nakano, R. Eder, and Y. Ohta
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 391 Pages: 012161-012161

    • DOI

      10.1088/1742-6596/391/1/012161

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous Electronic Structure of Transition-Metal Oxides with Hollandite-Type Crystal Structure2012

    • Author(s)
      T. Toriyama, T. Konishi, and Y. Ohta
    • Journal Title

      J. Phys.: Conf. Ser

      Volume: 391 Pages: 012109-012109

    • DOI

      10.1088/1742-6596/391/1/012109

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] 強磁性金属絶縁体転移 -完全スピン分極した電子系のパイエルス転移-2012

    • Author(s)
      上田寛, 中尾朗子, 中尾裕則, 太田幸則
    • Journal Title

      日本物理学会誌

      Volume: 67 Pages: 571-575

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous Electronic States of Hollandite-Type Transition-Metal Oxides2012

    • Author(s)
      Y.Ohta, 他
    • Journal Title

      Journal of Physics : Conference Series

      Volume: (印刷中)

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] BCS-BEC crossover in the extended Falicov-Kimball model : Variational cluster approach2011

    • Author(s)
      K.Seki, R.Eder, Y.Ohta
    • Journal Title

      Physical Review B

      Volume: 84 Issue: 24

    • DOI

      10.1103/physrevb.84.245106

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Peierls Mechanism of the Metal-Insulator Transition in Ferromagnetic Hollandite K2Cr80162011

    • Author(s)
      T.Toriyama, A.Nakao, H.Nakao, Y.Murakami, K.Hasegawa, M.
    • Journal Title

      Phys.Rev.Lett.

      Volume: 107 Issue: 26

    • DOI

      10.1103/physrevlett.107.266402

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin Gap of the Three-Leg S=3/2Heisenberg Tube2011

    • Author(s)
      S. Nishimoto, Y. Fuji, and Y. Ohta
    • Journal Title

      Phys. Rev

      Volume: B83 Issue: 22

    • DOI

      10.1103/physrevb.83.224425

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Self- Energy and Fermi Surface of the Two- Dimensional Hubbard Model2011

    • Author(s)
      R. Eder, K. Seki, and Y. Ohta
    • Journal Title

      Phys. Rev

      Volume: B83 Issue: 20

    • DOI

      10.1103/physrevb.83.205137

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mott Transition and Ferrimagnetism in the Hubbard Model on the Anisotropic Kagome Lattice2011

    • Author(s)
      A. Yamada, K. Seki, R. Eder, and Y. Ohta
    • Journal Title

      Phys. Rev

      Volume: B83 Issue: 19

    • DOI

      10.1103/physrevb.83.195127

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Quasi-One-Dimensional Electronic Structure of Hollandite Ruthenate K_2Ru_8O_<16>2011

    • Author(s)
      T. Toriyama, M. Watanabe, T. Konishi, and Y. Ohta
    • Journal Title

      Phys. Rev

      Volume: B83 Issue: 19

    • DOI

      10.1103/physrevb.83.195101

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theory of the Lightly Doped Mott Insulator2010

    • Author(s)
      R. Eder, P. Wrobel, and Y. Ohta
    • Journal Title

      Phys. Rev

      Volume: B82 Issue: 15

    • DOI

      10.1103/physrevb.82.155109

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] A New Half-Metallic Ferromagnet K_2Cr_8O_16 Predicted by an Ab-InitioElectronic Structure Calculation2010

    • Author(s)
      M.Sakamaki, T.Konishi, T.Shirakawa, Y.Ohta
    • Journal Title

      Journal of Physics : Conference Series

      Volume: 200

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonquasiparticle States in the Half-Metallic Ferromagnet Simulated by the Two-Band Hubbard Model2010

    • Author(s)
      K.Nakano, T.Shirakawa, Y.Ohta
    • Journal Title

      Journal of Physics : Conference Series

      Volume: 200

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] NaCr_2O_4の電磁状態の理論2013

    • Author(s)
      鳥山達矢、小西健久、太田幸則
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Year and Date
      2013-03-27
    • Related Report
      2012 Final Research Report
  • [Presentation] NaCr2O4の電子状態の理論2013

    • Author(s)
      鳥山達矢
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] 遷移金属酸化物に創発する超原子結晶:モリブデンホランダイト2012

    • Author(s)
      渡邊正将、鳥山達矢、小西健久、太田幸則
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      西宮市・関西学院大学
    • Year and Date
      2012-03-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] バナジウム酸化物、クロム酸化物研究の総括と新物質開発に向けて2012

    • Author(s)
      太田幸則
    • Organizer
      「ホランダイト型遷移金属酸化物の理論」科研費研究会
    • Place of Presentation
      ラフォーレ伊東
    • Related Report
      2012 Final Research Report
  • [Presentation] Hollandites- Theoretical Aspects of their Unique ElectronicProperties2012

    • Author(s)
      Y.Ohta
    • Organizer
      at International Conference on Magnetism (ICM2012)
    • Place of Presentation
      Pusan, Korea
    • Related Report
      2012 Final Research Report
  • [Presentation] Anomalous electronic states of Holladite-Type Transition-Metal Oxides2011

    • Author(s)
      Y. Ohta
    • Organizer
      LT26
    • Place of Presentation
      Beijing, China
    • Related Report
      2012 Final Research Report
  • [Presentation] Anomalous Electronic Structure of Hollandite-Type Crystal Structure2011

    • Author(s)
      T. Toriyama, T. Konishi, and Y. Ohta
    • Organizer
      SCES2011
    • Place of Presentation
      Cambridge, UK
    • Related Report
      2012 Final Research Report
  • [Presentation] 強相関電子系における軌道混成秩序とその外場応答の現状と今後の展開2011

    • Author(s)
      太田幸則
    • Organizer
      「強磁性K_2Cr_8O_<16>のMI転移の起源」構造物性研究センター研究会
    • Place of Presentation
      KEK物質構造研究センター
    • Related Report
      2012 Final Research Report
  • [Presentation] New Materials and Mechanisms of Metal-Insulator Transitions inTransition-Metal Compounds-Hollandites: Theoretical Aspects2010

    • Author(s)
      太田幸則
    • Organizer
      日本物理学会2010年秋季大会シンポジウム
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-25
    • Related Report
      2012 Final Research Report
  • [Presentation] Hollandites-Theoretical Aspects2010

    • Author(s)
      太田幸則
    • Organizer
      日本物理学会2010年秋季大会シンポジウム
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-25
    • Related Report
      2010 Annual Research Report
  • [Remarks] (1)日経産業新聞2012年1月4日朝刊9頁「絶縁と強磁性共存解明千葉大電子素子開発に期待」

    • Related Report
      2012 Final Research Report
  • [Remarks] (2)日刊工業新聞2011年12月27日朝刊18頁「強磁性のまま絶縁体の酸化物千葉大など仕組み解明」

    • Related Report
      2012 Final Research Report

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Published: 2010-08-23   Modified: 2020-05-15  

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