Carrier transport calculations of organic semiconductors with static and dynamic disorder

摘要

We review a quantitative evaluation method for the charge transport properties of organic semiconductors with static and dynamic disorder using wavepacket dynamics based on quantum theory. The large dynamic disorder in electronic states due to molecular vibrations induces transient localization of the charge carriers, which is a quantum interference effect and determines the intrinsic transport properties of the organic semiconductors. We show that our simulation can reproduce the experimentally observed mobility of single crystals including the temperature dependence. Furthermore, we estimate the effects of static disorder, such as impurities and defects, on the transport properties. To understand the transport properties of realistic organic devices, it is important to evaluate these properties based on quantum theory and consider the competition between static and dynamic disorder. (C) 2019 The Japan Society of Applied Physics