We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC). The IDC is carried out in the real-space representation with the energy-dependent reweighing factors to account for both intermolecular decoherence and energy relaxation by which conduction occurs. In this way, both the diffusion and drift motion of charge carriers are described in a unified framework. Based on an off-diagonal electron-phonon coupling model for pentacene, we find that the drift velocity initially increases with the electric field and then decreases at higher fields due to the Wannier-Stark localization, and a negative electricfield dependence of mobility is observed. The Einstein relation, which is a manifestation of the fluctuation-dissipation theorem, is found to be restored in electric fields up to ∼10 5 V/cm for a wide temperature region studied. Furthermore, we show that the incorporated decoherence and energy relaxation could explain the large discrepancy between the mobilities calculated by the Ehrenfest dynamics and the full quantum methods, which proves the effectiveness of our approach to take back these missing processes.
The purpose of this study was to evaluate associations between physical activity level and income and environmental factors among chinese adults. Through the empirical study of the survey data, it is found that: (1) after controlling for the relevant variables, residents' income has a positive impact on residents' participation in physical activities, and the regression coefficient is 0.541 (P < 0.01) (2) In the regression model after adding environmental variables, the regression coefficient of environmental variables increased from 0.401 (P < 0.01) to the highest 1.32 (P < 0.01) (3) Through the comparison of the KHB decomposition method, the intermediary effect of residents' income on environmental factors and participation in physical activities is 0.134 (P < 0.01), and the intermediary effect ratio is 27.01%. Suggestions: first, the government and society should actively provide public goods needed for physical activities to meet the needs of residents for physical activities; second, the government should strengthen the supply of sports facilities in residential areas, speed up the transformation of villages in cities and improve the living conditions in residential areas; third, through legislation to protect residents' income, improving income is not only to give citizens enough sense of security and happiness but also a way to improve residents' participation in physical activities.
We show a crossover from coherent to incoherent behavior of charge transport in crystalline organic semiconductors by considering the effect of shallow traps within the dynamical disorder model. The mixed quantum-classical system is treated by the Ehrenfest dynamics method complementing with instantaneous decoherence corrections and energy relaxation, which has been shown to properly make the system close to equilibrium. The shallow traps, which are incorporated by a static diagonal disorder, are shown to play a central role in the crossover. Temperature dependence of charge-carrier mobility is shown to be changed from being negative to positive with the strength of shallow traps increasing, which implies that there is a crossover from hopping to band-like transport. A higher electric field helps to recover the charge-carrier band-like transport behavior from the traps-caused hopping transport. In this way, a unified physical picture of the charge transport in crystalline organic semiconductors is proposed.
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