期刊
JOURNAL OF CHEMICAL PHYSICS
卷 151, 期 4, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.5096219
关键词
-
资金
- National Science Foundation of China [21833006, 21573175, 21773191]
A non-Markovian stochastic Schrodinger equation developed in our former work [Y. Ke and Y. Zhao, J. Chem. Phys. 147, 184103 (2017)] is extended to the reciprocal (k-) space to calculate the carrier dynamics in organic semiconductors with both local and nonlocal carrier-phonon interactions taken into account. The validity of this approach is examined by comparing with numerically exact benchmark results. As an application, the carrier mobilities are calculated within a one-dimensional periodic lattice model. The results reveal an inversion in the magnitude of the mobility as the nonlocal carrier-phonon interaction varies from weak to strong strengths, indicating a transition of the transport mechanism. This is also demonstrated by a variation in the temperature dependence of the mobility. In addition, a transient localization diffusive behavior caused by intramolecular vibrations is also found.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据