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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Circular Currents in Molecular Wires
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Circular Currents in Molecular Wires

机译：分子线中的圆形电流

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We consider circular currents driven by voltage bias in molecular wires with loop substructures studied within simple tight-binding models. Previous studies of this issue have focused on specific molecular structures. Here we address several general issues. First we consider the quantitative definition of a circular current and adopt a definition that identifies the circular component of a loop current as the sole source of the magnetic field induced in the loop. The latter may be associated with the field at the loop center, with the magnetic moment associated with this field or with the total magnetic flux threading the loop. We show that all three measures yield an identical definition of the loop current. Second, we study dephasing effects on the loop current and the associated induced magnetic field. Finally, we consider circular currents in several molecular structures—benzene, azulene, naphthalene, and anthracene—and show that circular currents occur generically in such structures; can be, in certain voltage ranges, considerably larger ,than the net current through the molecule; and are furthermore quite persistent to normal thermal dephasing.
机译：我们认为通过电压偏置与简单的紧束缚模型中研究的环子分子线驱动环电流。这个问题以前的研究都集中在特定的分子结构。在这里，我们解决几个常见问题。首先，我们考虑一个圆形电流的定量定义和采用一个定义标识循环电流在回路中感应的磁场的唯一来源的圆形部件。后者可以与在循环中心的字段相关联，与该字段或总磁通穿线环相关联的磁矩。我们发现，所有三项措施产生回路电流相同的定义。其次，我们研究了移相的回路电流和相关的感应磁场的影响。最后，我们考虑在几个分子结构 - 苯，甘菊环，萘，和圆形电流蒽并显示，在这样的结构一般发生圆形电流;可以是，在某些电压范围，大得多，比通过分子的净电流;而且还相当持久的正常热退相干。

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