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Strongly correlated quantum phases in 5d transition metal oxides with a strong spin-orbital coupling

Research Project

Project/Area Number 25287096
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypePartial Multi-year Fund
Section一般
Research Field Condensed matter physics II
Research InstitutionInstitute of Physical and Chemical Research

Principal Investigator

YUNOKI SEIJI  国立研究開発法人理化学研究所, 柚木計算物性物理研究室, 准主任研究員 (70532141)

Co-Investigator(Kenkyū-buntansha) 白川 知功  国立研究開発法人理化学研究所, 創発物性科学研究センター, 研究員 (40571237)
渡部 洋  国立研究開発法人理化学研究所, 創発物性科学研究センター, 協力研究員 (50571238)
Project Period (FY) 2013-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥18,980,000 (Direct Cost: ¥14,600,000、Indirect Cost: ¥4,380,000)
Fiscal Year 2015: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2014: ¥7,930,000 (Direct Cost: ¥6,100,000、Indirect Cost: ¥1,830,000)
Fiscal Year 2013: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Keywords強相関電子系 / スピン軌道相互作用 / 遷移金属酸化物 / 5d電子系 / 第一原理バンド計算 / ヘテロ構造 / 動的平均場近似 / 変分クラスター近似 / 5d遷移金属酸化物 / トポロジカル結晶絶縁体
Outline of Final Research Achievements

Recently, there have been increasing interests in transition metal oxides with the strong relativistic spin orbit interaction (SOI). This project is a microscopic theoretical study of new exotic quantum phases that emerges as a result of competition and/or corporation of the SOI and the electron correlations. In particular, this project focuses mostly on two dimensional materials with layered perovskite structure with the local electron configuration (t2g)5. The most important finding is that the d-wave superconductivity is induced once electrons is introduced into the Jeff=1/2 Mott insulator such as Sr2IrO4. The insulating mechanism of Sr2IrO4 and the SOI induced Jeff=1/2 Mott are also proposed.

Report

(5 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • Research Products

    (27 results)

All 2017 2016 2015 2014 2013 Other

All Int'l Joint Research (3 results) Journal Article (14 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 14 results,  Acknowledgement Compliant: 9 results,  Open Access: 1 results) Presentation (10 results) (of which Int'l Joint Research: 4 results,  Invited: 10 results)

  • [Int'l Joint Research] Chinese Academy of Sciences(中国)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] University of Texas/Oak Ridge National Laboratory/University of Tennessee(米国)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] University of Wurzburg/Max-Plank-Institute(ドイツ)

    • Related Report
      2016 Annual Research Report
  • [Journal Article] Electronic properties and applications of MXenes: a theoretical review2017

    • Author(s)
      Mohammad Khazaei, Ahmad Ranjbar, Masao Arai, Taizo Sasaki, and Seiji Yunoki
    • Journal Title

      Journal of Materials Chemistry C

      Volume: 5 Issue: 10 Pages: 2488-2503

    • DOI

      10.1039/c7tc00140a

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] From a Quasimolecular Band Insulator to a Relativistic Mott Insulator in t_2g^5 Systems with a Honeycomb Lattice Structure2016

    • Author(s)
      Beom Hyun Kim, Tomonori Shirakawa, and Seiji Yunoki
    • Journal Title

      Physical Review Letters

      Volume: 117 Issue: 18

    • DOI

      10.1103/physrevlett.117.187201

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling2016

    • Author(s)
      Q. Cui, J.-G. Cheng, W. Fan, A. E. Taylor, S. Calder, M. A. McGuire, J.-Q. Yan, D. Meyers, X. Li, Y. Q. Cai, Y. Y. Jiao, Y. Choi, D. Haskel, H. Gotou, Y. Uwatoko, J. Chakhalian, A. D. Christianson, S. Yunoki, J. B. Goodenough, and J.-S. Zhou
    • Journal Title

      Physical Review Letters

      Volume: 117 Issue: 17

    • DOI

      10.1103/physrevlett.117.176603

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates2016

    • Author(s)
      A. Yamasaki, H. Fujiwara, S. Tachibana, D. Iwasaki, Y. Higashino, C. Yoshimi, K. Nakagawa, Y. Nakatani, K. Yamagami, H. Aratani, O. Kirilmaz, M. Sing, R. Claessen, H. Watanabe, T. Shirakawa, S. Yunoki, A. Naitoh, K. Takase, J. Matsuno, H. Takagi, A. Sekiyama, and Y. Saitoh
    • Journal Title

      Phys. Rev. B

      Volume: 94 Issue: 11 Pages: 1151031-10

    • DOI

      10.1103/physrevb.94.115103

    • NAID

      120006502109

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory2016

    • Author(s)
      K. Seki and S. Yunoki
    • Journal Title

      Physical Review B

      Volume: 93 Issue: 24

    • DOI

      10.1103/physrevb.93.245115

    • NAID

      130006244960

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Topological insulators in the ordered double transition metals M′2M′′C2 MXenes (M′= Mo, W; M′′= Ti, Zr, Hf)2016

    • Author(s)
      Mohammad Khazaei, Ahmad Ranjbar, Masao Arai, and Seiji Yunoki
    • Journal Title

      Physical Review B

      Volume: 94 Issue: 12

    • DOI

      10.1103/physrevb.94.125152

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nearly free electron states in MXenes2016

    • Author(s)
      Mohammad Khazaei, Ahmad Ranjbar, Mahdi Ghorbani-Asl, Masao Arai, Taizo Sasaki, Yunye Liang, and Seiji Yunoki
    • Journal Title

      Physical Review B

      Volume: 93 Issue: 20

    • DOI

      10.1103/physrevb.93.205125

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Giant Switchable Rashba Effect in Oxide Heterostructures2015

    • Author(s)
      Z. Zhong, L. Si, Q. Zhang, W.-G. Yin, S. Yunoki, and K. Held
    • Journal Title

      Advanced Materials Interfaces

      Volume: 2 Issue: 5

    • DOI

      10.1002/admi.201400445

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic and Magnetic Structure under Lattice Distortion in SrIrO3/SrTiO3 Superlattice: A First-Principles Study2015

    • Author(s)
      W. Fan and S. yunoki
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 592 Pages: 012139-012139

    • DOI

      10.1088/1742-6596/592/1/012139

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with (t2g)5 electrons2015

    • Author(s)
      T. Sato, T. Shirakawa, and S. Yunoki
    • Journal Title

      Physical Review B

      Volume: 91 Issue: 12

    • DOI

      10.1103/physrevb.91.125122

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Temperature dependence of the optical conductivity in a half-filled Hubbard model: Mott-type Insulator vs Slater-type insulator2014

    • Author(s)
      K. Seki, T. Shirakawa, Y. Sun, and S. Yunoki
    • Journal Title

      JPS Conference Proceedings

      Volume: 3

    • DOI

      10.7566/jpscp.3.014026

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Magnetism in Sr2IrO4: a weak coupling study2014

    • Author(s)
      K, Nishiguchi, H. Watanabe, and S. Yunoki
    • Journal Title

      JPS Conference Proceedings

      Volume: 3

    • DOI

      10.7566/jpscp.3.015037

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr_{2}IrO_{4}2014

    • Author(s)
      Hiroshi Watanabe, Tomonori Shirakawa, and Seiji Yunoki
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 16

    • DOI

      10.1103/physrevb.89.165115

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Rocksalt SnS and SnSe: Native topological crystalline insulators2013

    • Author(s)
      Y. Sun, Z. Zhong, T. Shirakawa, C. Franchini, D. Li, Y. Li, S. Yunoki, and X.-Q. Chen
    • Journal Title

      Physical Review B

      Volume: 88 Issue: 23

    • DOI

      10.1103/physrevb.88.235122

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Presentation] Microscopic model study of strongly correlated 5d transition metal Ir oxides2016

    • Author(s)
      Seiji Yunoki
    • Organizer
      IUMRS 2016 Symposium Z
    • Place of Presentation
      Qingdao (China)
    • Year and Date
      2016-10-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Superconductivity and metal-insulator transition in 5d iridium oxides2015

    • Author(s)
      Seiji Yunoki
    • Organizer
      The 10th Anniversary General Meeting of Asian Consortium on Computational Materials Science (ACCMS)
    • Place of Presentation
      東北大学(宮城県・仙台市)
    • Year and Date
      2015-11-01
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier doped Mott insulator in iridates2015

    • Author(s)
      Seiji Yunoki
    • Organizer
      The 1st International Conference on Computational Design and Simulation of Materials (CDSM 2015)
    • Place of Presentation
      Shenyang China
    • Year and Date
      2015-08-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier doped Mott insulators: iridates vs. cuprates2015

    • Author(s)
      Seiji Yunoki
    • Organizer
      EMN Qingdao Meeting, Energy Materials Nanotechnology
    • Place of Presentation
      Qingdao, China
    • Year and Date
      2015-06-14
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 層状ペロブスカイト構造を持つ5d遷移金属イリジウム酸化物における新奇な絶縁体と超伝導2014

    • Author(s)
      柚木清司
    • Organizer
      物性研究所計算物質科学センター第4回シンポジウム・物性研スーパーコンピュータ共同利用報告会
    • Place of Presentation
      千葉、物性研究所
    • Year and Date
      2014-11-12 – 2014-11-14
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Superconductivity and metal-insulator transition in 5d iridium oxides2014

    • Author(s)
      Seiji Yunoki
    • Organizer
      IUMRS-ICYRAM 2104
    • Place of Presentation
      Haikou, China
    • Year and Date
      2014-10-24 – 2014-10-29
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Superconductivity and metal-insulator transition in Sr2IrO42014

    • Author(s)
      Seiji Yunoki
    • Organizer
      2014 EMN Summer Meeting
    • Place of Presentation
      Cancun, Mexico
    • Year and Date
      2014-06-09 – 2014-06-12
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Novel unconventional superconductivity in Jeff=1/2 Mott insulator for Ir oxides

    • Author(s)
      柚木 清司
    • Organizer
      First-QS2C Workshop on “Emergent Phenomena of Correlated Materials”
    • Place of Presentation
      東京
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Large scale numerical simulations for strongly correlated quantum systems: density matrix renormalization group in two-dimensions

    • Author(s)
      柚木 清司
    • Organizer
      The 4-th AICS International Symposium
    • Place of Presentation
      神戸
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Anisotropic two-dimensional electron gas at the LaAlO3/SrTiO3(110) interface

    • Author(s)
      柚木 清司
    • Organizer
      Workshop on Oxide Electronics 20
    • Place of Presentation
      シンガポール
    • Related Report
      2013 Annual Research Report
    • Invited

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Published: 2013-05-21   Modified: 2022-02-16  

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