论文标题

芳族碳分子中的当前涡旋

Current vortices in aromatic carbon molecules

论文作者

Stegmann, Thomas, Franco-Villafañe, John A., Ortiz, Yenni P., Deffner, Michael, Herrmann, Carmen, Kuhl, Ulrich, Mortessagne, Fabrice, Leyvraz, Francois, Seligman, Thomas H.

论文摘要

研究了局部电流通过三个小芳香族碳分子的流动,即苯,萘和蒽。应用密度功能理论和非平衡绿色的运输方法,我们证明了这些分子的某些电子能量存在明显的电流涡流。这些圆电流的强度不仅在传输的抗谐音中出现,而且在其最大值的附近都可以超过流过分子连接的总电流并产生相当大的磁场。分子连接的$π$电子系统是通过宏观微波谐振器网络实验模拟的。这些实验中的局部电流流动证实了电流涡旋的存在是环结构的稳健特性。可以通过简单的最近邻邻紧密结合的Hückel模型来理解圆电流。当前的涡旋是由开放系统的复杂本征态的相互作用引起的,该系统的能量通过所考虑的电子能量很近。如在苯和蒽中所观察到的,脱脂性可以产生强的圆电流,但也可以产生强烈的圆形电流,但也可以产生萘的非排化系统,如萘表现出当前的涡流。小的瑕疵和扰动可以使否则未耦合状态并诱导圆电流。

The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green's function method for transport, we demonstrate that pronounced current vortices exist at certain electron energies for these molecules. The intensity of these circular currents, which appear not only at the anti-resonances of the transmission but also in vicinity of its maxima, can exceed the total current flowing through the molecular junction and generate considerable magnetic fields. The $π$ electron system of the molecular junctions is emulated experimentally by a network of macroscopic microwave resonators. The local current flows in these experiments confirm the existence of current vortices as a robust property of ring structures. The circular currents can be understood in terms of a simple nearest-neighbor tight-binding Hückel model. Current vortices are caused by the interplay of the complex eigenstates of the open system which have energies close-by the considered electron energy. Degeneracies, as observed in benzene and anthracene, can thus generate strong circular currents, but also non-degenerate systems like naphthalene exhibit current vortices. Small imperfections and perturbations can couple otherwise uncoupled states and induce circular currents.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源