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Grégoire David1, Boris Le Guennic1, Daniel Reta2,3,4
1Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, F-35000 Rennes, France. gregoire.david@univ-rennes1.fr.
兰坦化物 (Ln) 化合物的磁性合提高了单分子磁体 (SMM) 的性能. 本研究分析了使用DFT的Gd2I3 SMM系统,以确定改善磁合的因素,并提出了新的SMM设计.
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