铑-富勒烯（Rh-C60）电子态的理论研究。室温有机铁磁体的可能性。
Theoretical studies on electronic states of Rh-C60. Possibility of a room-temperature organic ferromagnet.
作者信息
Nakano S, Kitagawa Y, Kawakami T, Okumura M, Nagao H, Yamaguchi K
机构信息
Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan.
出版信息
Molecules. 2004 Aug 31;9(9):792-807. doi: 10.3390/90900792.
A possible mechanism for a ferromagnetic interaction in the rhombic (Rh) form of C60 (Rh-C60) is suggested on the basis of theoretical studies in relation to cage distortion of the C60 unit in the polymerized 2D-plane. Band structure calculations on Rh-C60 show that cage distortion leads to competition between diamagnetic and ferromagnetic states,which give rise to the possibility of thermally populating the ferromagnetic state.
基于对二维平面聚合中C60单元笼畸变的理论研究，提出了C60菱形（Rh）形式（Rh-C60）中铁磁相互作用的一种可能机制。对Rh-C60的能带结构计算表明，笼畸变导致抗磁态和铁磁态之间的竞争，这使得热填充铁磁态成为可能。
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