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arXiv 1408.0507cond-mat.mes-hallquant-ph
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单分子结中的热耗散及其与分子轨道能的关系

Heat dissipation and its relation to molecular orbital energies in single-molecule junctions

Yaghoob Naimi, Javad Vahedi

摘要:

本文从理论上研究了单分子结中的热耗散。为了研究电极中的热耗散以及透射光谱与电子结构之间的关系,我们考虑了一个两能级分子桥连接电极的玩具模型。利用Landauer方法,我们展示了分子结电极中的热耗散与其传输特性的关系。我们发现,在一般情况下,热量是不相等的,在左,右电极的结,它依赖于偏置极性和相对于费米能级的分子的能级的位置。此外,我们利用C $_{60}$分子作为一个结,结果显示出良好的协议与玩具模型。我们的结果是显着的热耗散的意义上说,他们可以用来检测的能级的结在运输过程中占主导地位。

英文摘要:

We present a theoretical study of the heat dissipation in single-molecule junctions. In order to investigate the heat dissipation in the electrodes and the relationship between the transmission spectra and the electronic structures, we consider a toy model that in which electrodes linked by a two-level molecular bridge. By using of the Landauer approach, we show how heat dissipation in the electrodes of a molecular junction is related to its transmission characteristics. We show that in general heat is not equally dissipated in the left and right electrodes of the junction and it depends on the bias polarity and the positions of molecule's energy levels with respect to the Fermi level. Also, we exploit the C$_{60}$ molecule as a junction and the results show a good agreement with the toy model. Our results for the heat dissipation are remarkable in the sense that they can be used to detect which energy levels of a junction are dominated in the transport process.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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