Propagation of Spin Information at the Supramolecular Scale through Heteroaromatic Linkers
Propagation of Spin Information at the Supramolecular Scale through Heteroaromatic Linkers
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DOI：
10.1103/physrevlett.106.227205
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发表时间：
2011-06-03
影响因子：
8.6
通讯作者：
Affronte, M.
中科院分区：
文献类型：
--
作者：
Bellini, V.;Lorusso, G.;Affronte, M.
我们报告了一个深入的研究如何自旋信息传播在超分子尺度上通过一个家庭的杂芳族连接。通过密度泛函理论计算，我们合理化了一系列Cr（7）Ni二聚体的行为，我们能够系统地改变芳香族连接基，从而调整磁相互作用的强度，如低温微SQUID和比热测量实验所示。我们还预测了磁耦合对双环连接体中芳香环之间的扭转角的cos（2）依赖性，这是一种与类似系统上的电荷传输平行的机制
We report an in-depth study on how spin information propagates at supramolecular scale through a family of heteroaromatic linkers. By density-functional theory calculations, we rationalize the behavior of a series of Cr(7)Ni dimers for which we are able to systematically change the aromatic linker thus tuning the strength of the magnetic interaction, as experimentally shown by low temperature micro-SQUID and specific heat measurements. We also predict a cos(2) dependence of the magnetic coupling on the twisting angle between the aromatic cycles in bicyclic linkers, a mechanism parallel to charge transport on similar systems