Exploring new antiferromagnetic spintronics materials by first-principles calculation

2022 Fiscal Year Final Research Report

• Project/Area Number: 20K05299
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 29010:Applied physical properties-related
• Research Institution: Toyama Prefectural University (2022); Tohoku University (2020-2021)
• Principal Investigator: Yanagi Yuki 富山県立大学, 工学部, 准教授 (70634343)
• Project Period (FY): 2020-04-01 – 2023-03-31
• Keywords: 磁性 / スピントロニクス / 第一原理計算

Outline of Final Research Achievements

We have theoretically studied the relation between magnetic and electronic structures and various physical phenomena such as charge and spin transports. The anomalous Hall and Nernst effects in Co3InxSn2-xS2 and spin Hall effect in CuMnAs have been quantitatively evaluated by using first-principles calculation. We have also clarified that characteristic electronic structure modulations such as antisymmetric spin splitting and band shift can be realized in non-collinear and non-coplanar antiferromagnets, respectively even without spin-orbit coupling. Furthermore, the magnetic structure generation method based on multipole expansion has been developed to properly describe the magnetic structures with inter-unit cell spatial modulation. We have then proposed candidate magnetic structures in α-Mn and CoTa3S6 with use of this method.

Free Research Field

強相関電子系

Academic Significance and Societal Importance of the Research Achievements

第一原理計算を用いた輸送特性の定量的解析を通して、電子構造が物性に与える影響に関する理解を深めた。これは、反強磁性スピントロニクス物質などの機能性磁性材料の探索へつながる知見となることが期待される。また、スピン軌道相互作用によらない電子構造変化や交差相関現象に関する研究成果は機能性磁性材料の候補となる物質群が従来よりも拡大する可能性を示した点に学術的意義があると考えている。磁気構造生成法については、磁性体に対するハイスループット第一原理計算への応用可能性が見込まれる。