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

• Project/Area Number: 25287096
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Partial Multi-year Fund
• Section: 一般
• Research Field: Condensed matter physics II
• Research Institution: Institute 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: ¥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.

Research Products

• [Int'l Joint Research] Chinese Academy of Sciences(中国)
• [Int'l Joint Research] University of Texas/Oak Ridge National Laboratory/University of Tennessee(米国)
• [Int'l Joint Research] University of Wurzburg/Max-Plank-Institute(ドイツ)
• [Journal Article] Electronic properties and applications of MXenes: a theoretical review (2017)
  • 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
  • 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 Structure (2016)
  • 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
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling (2016)
  • 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
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates (2016)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory (2016)
  • Author(s): K. Seki and S. Yunoki
  • Journal Title: Physical Review B Volume: 93 Issue: 24
  • DOI: 10.1103/physrevb.93.245115
  • NAID: 130006244960
  • 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
  • Peer Reviewed
• [Journal Article] Nearly free electron states in MXenes (2016)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Giant Switchable Rashba Effect in Oxide Heterostructures (2015)
  • 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
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Electronic and Magnetic Structure under Lattice Distortion in SrIrO3/SrTiO3 Superlattice: A First-Principles Study (2015)
  • 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
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with (t2g)5 electrons (2015)
  • Author(s): T. Sato, T. Shirakawa, and S. Yunoki
  • Journal Title: Physical Review B Volume: 91 Issue: 12
  • DOI: 10.1103/physrevb.91.125122
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Temperature dependence of the optical conductivity in a half-filled Hubbard model: Mott-type Insulator vs Slater-type insulator (2014)
  • Author(s): K. Seki, T. Shirakawa, Y. Sun, and S. Yunoki
  • Journal Title: JPS Conference Proceedings Volume: 3
  • DOI: 10.7566/jpscp.3.014026
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Magnetism in Sr2IrO4: a weak coupling study (2014)
  • Author(s): K, Nishiguchi, H. Watanabe, and S. Yunoki
  • Journal Title: JPS Conference Proceedings Volume: 3
  • DOI: 10.7566/jpscp.3.015037
  • 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
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Rocksalt SnS and SnSe: Native topological crystalline insulators (2013)
  • 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
  • Peer Reviewed
• [Presentation] Microscopic model study of strongly correlated 5d transition metal Ir oxides (2016)
  • Author(s): Seiji Yunoki
  • Organizer: IUMRS 2016 Symposium Z
  • Place of Presentation: Qingdao (China)
  • Year and Date: 2016-10-21
  • Int'l Joint Research / Invited
• [Presentation] Superconductivity and metal-insulator transition in 5d iridium oxides (2015)
  • 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
  • Int'l Joint Research / Invited
• [Presentation] Carrier doped Mott insulator in iridates (2015)
  • 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
  • Int'l Joint Research / Invited
• [Presentation] Carrier doped Mott insulators: iridates vs. cuprates (2015)
  • Author(s): Seiji Yunoki
  • Organizer: EMN Qingdao Meeting, Energy Materials Nanotechnology
  • Place of Presentation: Qingdao, China
  • Year and Date: 2015-06-14
  • 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
  • Invited
• [Presentation] Superconductivity and metal-insulator transition in 5d iridium oxides (2014)
  • Author(s): Seiji Yunoki
  • Organizer: IUMRS-ICYRAM 2104
  • Place of Presentation: Haikou, China
  • Year and Date: 2014-10-24 – 2014-10-29
  • Invited
• [Presentation] Superconductivity and metal-insulator transition in Sr2IrO4 (2014)
  • Author(s): Seiji Yunoki
  • Organizer: 2014 EMN Summer Meeting
  • Place of Presentation: Cancun, Mexico
  • Year and Date: 2014-06-09 – 2014-06-12
  • 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
  • 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
  • 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
  • Invited