Nonlinear thermoelectric properties of molecular junctions with vibrational coupling
Nonlinear thermoelectric properties of molecular junctions with vibrational coupling
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DOI：
10.1103/physrevb.82.045412
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发表时间：
2010-07-13
影响因子：
3.7
通讯作者：
Flensberg, K.
中科院分区：
文献类型：
--
作者：
Leijnse, M.;Wegewijs, M. R.;Flensberg, K.
我们提出了一个详细的研究的非线性热电性质的分子结，所代表的耗散Anderson-Holstein模型。一个单一的轨道水平与强库仑相互作用耦合到本地化的振动模式，我们占电子和声子交换与两个电极，调查这些如何有助于热量和电荷传输。我们计算的效率和功率输出的设备作为一个热到电功率转换器在弱隧道耦合和声子交换率的制度，并确定最佳的操作条件，这被发现是定性地改变振动模式的存在。基于这一研究的一个通用模型系统，我们讨论了理想的热电应用的分子结的属性。
We present a detailed study of the nonlinear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single-orbital level with strong Coulomb interaction is coupled to a localized vibrational mode and we account for both electron and phonon exchange with both electrodes, investigating how these contribute to the heat and charge transports. We calculate the efficiency and power output of the device operated as a heat to electric power converter in the regime of weak tunnel coupling and phonon exchange rate and identify the optimal operating conditions, which are found to be qualitatively changed by the presence of the vibrational mode. Based on this study of a generic model system, we discuss the desirable properties of molecular junctions for thermoelectric applications.