Development and application of the density functional approach with spin density magnetic dipole interaction
| Project/Area Number |
18K04923
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 29010:Applied physical properties-related
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| Research Institution | Kanazawa University |
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Principal Investigator |
Oda Tatsuki 金沢大学, 数物科学系, 教授 (30272941)
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| Project Period (FY) |
2018-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2020: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Keywords | 磁気異方性エネルギー / スピン軌道相互作用 / スピントロニクス / マルチフェロイクス / ノンコリニアスピン密度汎関数理論 / スピン分極密度汎関数理論 / 形状磁気異方性 / 磁気双極子相互作用 / 密度汎関数法 / ノンコリニア磁気構造 / 傾角磁気構造 |
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| Outline of Final Research Achievements |
In the project, we successfully developed and implemented the computational method that the magnetic dipole interaction energy is self-consistently determined with the spin density of system in the framework of spin-polarized density functional theory. This success of self-consistent calculation allowed us to analyze magnetic properties of materials under explicit external magnetic field. On the applications, in the spintronics application materials of ferromagnetic nanofilm with the Fe/MgO interface and Co/Ni-based ferromagnetic nano multilayer film, our computational results revealed that the experimental results in the recent literature can be well explained qualitatively and quantitatively. This demonstrated that the computational method we have developed is so good enough that it can clarify magnetic properties of film in non-empirical way.
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| Academic Significance and Societal Importance of the Research Achievements |
磁気双極子相互作用エネルギーをスピン密度から計算することに成功したことにより、表面・界面における原子サイズあるいはナノスケールのスピン密度変化(四重極子成分等)に由来する磁気異方性を高精度に取り込むことができる学術的重要な意義がる。これにより、これまで科学データに基づいて描かれることが少なかった原子サイズの磁力線を描くことが可能となり、それにより、マクロスケールの磁石への理解と同様に、ナノ物質磁性への理解が容易になる社会的意義がある。
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Report
(4 results)
Research Products
(28 results)
