Dual fermion approach to Mott transition and high-energy spectroscopy of multi-orbital systems

• Project/Area Number: 18K03541
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 13030:Magnetism, superconductivity and strongly correlated systems-related
• Research Institution: Hiroshima University
• Principal Investigator: Tanaka Arata 広島大学, 先進理工系科学研究科(先), 准教授 (70253052)
• Project Period (FY): 2018-04-01 – 2023-03-31
• Project Status: Completed (Fiscal Year 2022)
• Budget Amount: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000); Fiscal Year 2022: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000); Fiscal Year 2021: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000); Fiscal Year 2020: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000); Fiscal Year 2019: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000); Fiscal Year 2018: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
• Keywords: デュアルフェルミオン法 / 強相関電子系 / ハバードモデル / 金属絶縁体転移 / 多軌道系 / 自己エネルギーの漸近補正 / モット転移 / 動的平均場近似 / デュアル・フェルミオン法

Outline of Final Research Achievements

To discuss metal-insulator transition in two-dimensional electronic systems and electronic state of cuprate superconductors, the Hubbard model on the square lattice is investigated using the dual fermion approximation, where a newly developed Lanczos exact diagonalization method as a solver of the effective impurity Anderson model is employed. The strange metallic state, pseudo-gap state, superconducting state and phase separation in cuprate superconductors are investigated in relation with the antiferromagnetic fluctuation. Extensions of software to calculate multi-orbital systems are also conducted. In addition, the electronic states of some of transition-metal oxides such as LaCoO3 and CaCu3Ru4O12 are studied in collaboration with experimental researchers.

Academic Significance and Societal Importance of the Research Achievements

新たに開発したLanczos厳密対角化法を用いたデュアルフェルミオン法を用いることで、強相関電子系で一般的に用いられている量子モンテカルロでは困難な低温での電子状態の精密な計算できるようになり、強相関電子系の理論の進展が期待できる。また、将来的には、これらの物質の電子状態の理解が進むことで、新しい機能性材料の開発が可能になると期待できる。

Research Products

• [Int'l Joint Research] Max Planck Institute(ドイツ)
• [Journal Article] Paramagnetic LaCoO3: A Highly Inhomogeneous Mixed Spin-State System (2023)
  • Author(s): Takegami D.、Tanaka A.、Agrestini S.、Hu Z.、Weinen J.、Rotter M.、Schueler-Langeheine C.、Willers T.、Koethe T. C.、Lorenz T.、Liao Y. F.、Tsuei K. D.、Lin H.-J.、Chen C. T.、Tjeng L. H.
  • Journal Title: Physical Review X Volume: 13 Issue: 1
  • DOI: 10.1103/physrevx.13.011037
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Stability of the Pb divalent state in insulating and metallic PbCrO3 (2023)
  • Author(s): Zhao Jianfa、Haw Shu-Chih、Wang Xiao、Cao Lipeng、Lin Hong-Ji、Chen Chien-Te、Sahle Christoph J.、Tanaka Arata、Chen Jin-Ming、Jin Changqing、Hu Zhiwei、Tjeng Liu Hao
  • Journal Title: Physical Review B Volume: 107 Issue: 2
  • DOI: 10.1103/physrevb.107.024107
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] CaCu3Ru4O12: A High Kondo-Temperature Transition Metal Oxide (2022)
  • Author(s): D. Takegami, C. Kuo, K. Kasebayashi, J. Kim, C. Chang, C. Liu, C. Wu, D. Kasinathan, S. Altendorf, K. Hoefer, F. Meneghin, A. Marino, Y. Liao, K. Tsuei, C. Chen, K. Ko, A. Gunther, S. Ebbinghaus, J. Seo, D. Lee, G. Ryu, A. Komarek, S. Sugano, Y. Shimakawa, A. Tanaka, T. Mizokawa, J. Kune, L. Tjeng, and A. Hariki
  • Journal Title: Physical Review X Volume: 12 Issue: 1 Pages: 0110171-12
  • DOI: 10.1103/physrevx.12.011017
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] MLFT approach with p-d hybridization for ab initio simulations of the pre-edge XANES (2020)
  • Author(s): E. Gorelov, A. A. Guda, M. A. Soldatov, S. A. Guda, D. Pashkov, A. Tanaka, S. Lafuerza C. Lamberti and A. V. Soldatov
  • Journal Title: Radiation Physics and Chemistry Volume: 175 Pages: 108105-108105
  • DOI: 10.1016/j.radphyschem.2018.12.025
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Metal-insulator transition in the two-dimensional Hubbard model: Dual fermion approach with Lanczos exact diagonalization (2019)
  • Author(s): Arata Tanaka
  • Journal Title: Physical Review B Volume: 99 Issue: 20
  • DOI: 10.1103/physrevb.99.205133
  • Peer Reviewed
• [Presentation] ハバードモデルの擬ギャップ状態における自己エネルギーの特異な波数、周波数依存性 (2023)
  • Author(s): 田中 新
  • Organizer: 日本物理学会2023年春季大会
• [Presentation] Planckian metallic state in the two-dimensional Hubbard model (2022)
  • Author(s): Arata Tanaka
  • Organizer: International Conference on Strongly Correlated Electron Systems 2022
  • Int'l Joint Research
• [Presentation] 銅酸化物超伝導体の異常金属状態における準粒子のプランク極限散乱 (2022)
  • Author(s): 田中 新
  • Organizer: 日本物理学会2022年秋季大会
• [Presentation] 銅酸化物超伝導体のストレンジメタル状態と擬ギャップ状態の関係について (2022)
  • Author(s): 田中新
  • Organizer: 日本物理学会第77回年次大会
• [Presentation] 異方的三角格子ハバードモデルにおける磁気揺らぎと金属絶縁体転移の関係 (2021)
  • Author(s): 田中新
  • Organizer: 日本物理学会2021秋季大会
• [Presentation] 正方格子ハバードモデルの擬ギャップ、反強磁性揺らぎ、リッフシッツ転移の関連について (2021)
  • Author(s): 田中新
  • Organizer: 日本物理学会 第76回年次大会
• [Presentation] デュアルフェルミオン法による2次元ハバードモデルの動的スピン帯磁率 (2019)
  • Author(s): 田中新
  • Organizer: 日本物理学会2019年秋季大会
• [Presentation] Dynamic spin susceptibility of the 2D Hubbard model away from half-filling (2019)
  • Author(s): Arata Tanaka
  • Organizer: International Conference on Strongly Correlated Electron Systems 2019
  • Int'l Joint Research
• [Presentation] Fermi arcs in cuprate superconductors studied by the dual fermion approximation (2019)
  • Author(s): Arata Tanaka
  • Organizer: The 19th International Conference on Solid Films and Surfaces
  • Int'l Joint Research
• [Presentation] デュアルフェルミオン法による異方的三角格子ハバードモデルにおける金属絶縁体転移 (2019)
  • Author(s): 田中新
  • Organizer: 日本物理学会第74回年次大会
• [Presentation] デュアルフェルミオン法の自己エネルギーの漸近補正と2次元ハバードモデルへの応用 (2018)
  • Author(s): 田中新
  • Organizer: 日本物理学会秋季大会
• [Presentation] Dual fermion approach to the fermi arc formation in the two-dimensional square-lattice Hubbard model (2018)
  • Author(s): 田中新
  • Organizer: International conference on magnetism (ICM 2018)
  • Int'l Joint Research
• [Presentation] デュアルフェルミオン法による2次元ハバードモデルの金属絶縁体転移 (2018)
  • Author(s): 田中新
  • Organizer: 琉球大学物性研究会