Frontiers of an ab initio effective model and correlation science

2014 Fiscal Year Final Research Report

• Project Area: Materials Design through Computics: Complex Correlation and Non-equilibrium Dynamics
• Project/Area Number: 22104010
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: The University of Tokyo
• Principal Investigator: IMADA Masatoshi 東京大学, 工学(系)研究科(研究院), 教授 (70143542)
• Co-Investigator(Kenkyū-buntansha): MIYAKE Takashi 産業技術総合研究所, 計算科学研究部門, 主任研究員 (30332638) ; NAKAMURA Kazuma 東京大学, 大学院工学系研究科, 助教 (60525236) ; SAKUMA Rei 千葉大学, 大学院融合科学研究科, 助教 (10512204)
• Co-Investigator(Renkei-kenkyūsha): OGUCHI Tamio 大阪大学, 産業科学研究所, 教授 (90253054) ; ISHIBASHI Shoji 産業技術総合研究所, 計算科学研究部門, 研究グループ長 (30356448) ; ARITA Ryotaro 国立研究開発法人理化学研究所, 計算物質科学研究チーム, チームリーダー (80332592) ; FUJIMORI Atsushi 東京大学, 大学院理学系研究科, 教授 (10209108) ; SHIN Shik 東京大学, 物性研究所, 教授 (00162785)
• Project Period (FY): 2010-04-01 – 2015-03-31
• Keywords: 第一原理計算 / 強相関電子系 / 有効模型 / 光電子分光 / スピン軌道相互作用 / 鉄系超伝導体 / 有機導体 / 非従来型伝導

Outline of Final Research Achievements

Strongly correlated electron systems are at the frontier of fundamental and basic science research and have been contributing in fostering new concepts and novel phenomena in nature. However, understanding properties accurately and revealing mechanisms of real strongly correlated systems based on first principles have long remained a grand challenge, because of theoretical difficulties.
In this project, we have established multi-scale ab initio scheme for correlated electrons (MACE) by utilizing a hierarchical structure of the correlated electrons and applied them successfully. We have elucidated mechanisms of high-temperature superconductivity, and predicted the existence of novel topological phases in iridium compounds with strong spin-orbit interaction, thereby have contributed in understanding challenging basic physics.

Free Research Field

数物系科学