[J202-4pm] 09. Coordination Chemistry, Organometallic Chemistry

[J202-4pm-13] Theoretical study on electronic structure and magnetic anisotropy of dysprosium(III) metallocene complex using density functional theory (DFT) method

^○Keigo Cho¹, Masahiro Tsuda², Naoka Amamizu¹, Taigo Kamimura¹, Yuta Hayashi², Keisuke Sasaki², Ryohei Kishi^1,3,4,5, Yasutaka Kitagawa^1,3,4,5, Masayoshi Nakano^1,3,4,5,6 (1. Graduate School of Engineering Science, Osaka University, 2. Engineering Science, Osaka University, 3. Center for Spintronics Research Network, Osaka University, 4. Center for Quantum Information and Quantum Biology, Osaka University, 5. Osaka University Research Center for Solar Energy, Osaka University, 6. Innovative Catalysis Science Division (ICS), OTRI, Osaka University)

[Lang.] Japanese

Keywords:single-molecule magnets, dysprosium metallocene complexes, quantum chemical calculation, density functional theory, magnetic anisotropy