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用于获得分子链中一维电荷传输迁移率的双路径积分方法。

Double path integral method for obtaining the mobility of the one-dimensional charge transport in molecular chain.

作者信息

Yoo-Kong Sikarin, Liewrian Watchara

机构信息

Theoretical and Computational Physics (TCP) Group, Department of Physics, Faculty of Science, King Mongkut's University of Technology Thonburi, 10140, Bangkok, Thailand.

Theoretical and Computational Science Centre (TaCS), Faculty of Science, King Mongkut's University of Technology Thonburi, 10140, Bangkok, Thailand.

出版信息

Eur Phys J E Soft Matter. 2015 Dec;38(12):135. doi: 10.1140/epje/i2015-15135-y. Epub 2015 Dec 28.

DOI:10.1140/epje/i2015-15135-y
PMID:26701710
Abstract

We report on a theoretical investigation concerning the polaronic effect on the transport properties of a charge carrier in a one-dimensional molecular chain. Our technique is based on the Feynman's path integral approach. Analytical expressions for the frequency-dependent mobility and effective mass of the carrier are obtained as functions of electron-phonon coupling. The result exhibits the crossover from a nearly free particle to a heavily trapped particle. We find that the mobility depends on temperature and decreases exponentially with increasing temperature at low temperature. It exhibits large polaronic-like behaviour in the case of weak electron-phonon coupling. These results agree with the phase transition (A.S. Mishchenko et al., Phys. Rev. Lett. 114, 146401 (2015)) of transport phenomena related to polaron motion in the molecular chain.

摘要

我们报告了一项关于极化子对一维分子链中电荷载流子输运性质影响的理论研究。我们的技术基于费曼路径积分方法。得到了载流子频率相关迁移率和有效质量的解析表达式,它们是电子 - 声子耦合的函数。结果显示了从近自由粒子到强捕获粒子的转变。我们发现迁移率取决于温度,在低温下随温度升高呈指数下降。在弱电子 - 声子耦合情况下,它表现出类似大极化子的行为。这些结果与分子链中与极化子运动相关的输运现象的相变(A.S. 米申科等人,《物理评论快报》114, 146401 (2015))一致。

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