2019 Fiscal Year Final Research Report
Magnetic analysis and anisotropy control of polynuclear T-ground-term transition metal complexes
Project/Area Number |
15K05445
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Multi-year Fund |
Section | 一般 |
Research Field |
Inorganic chemistry
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Research Institution | Yamagata University |
Principal Investigator |
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Project Period (FY) |
2015-04-01 – 2020-03-31
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Keywords | 磁性 / シミュレーション / T項 / 多核錯体 |
Outline of Final Research Achievements |
Simulating magnetic properties is an important technique for understanding the basic properties of materials; however, the simulation is extremely difficult for polynuclear T-term complexes, possessing a lot of T-term magnetic centers. In this study, a purpose is to conduct magnetic simulations for polynuclear T-term complexes. All the secular matrices were solved for the T-term magnetic centers, and the theoretical equations were derived for the polynuclear T-term complexes. As a result, difficult magnetic properties were successfully simulated for polynuclear T-term complexes.
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Free Research Field |
錯体化学
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Academic Significance and Societal Importance of the Research Achievements |
磁性シミュレーションは、スピントロニクスとも関連した重要な技術の一つであるが、T項多核錯体ではシミュレーションは困難を極める。本研究では、一つのT項磁気中心について、行列方程式を文字式の形で解き、これを組み合わせることでT項多核錯体用の磁性理論式を導出した点が特徴である。この方法によって大幅な計算コストの節約ができ、これまで不可能であったT項一次元ポリマーやT項二次元ポリマーの磁気シミュレーションに成功した点に学術的意義がある。
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