Monte Carlo Simulation of Diffusion Coefficient and Average Energy of Charge Carriers in a Disordered Organic Semiconductors

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Addis Ababa University


One of the most remarkable results known for energy relaxation of charge carriers in a Gaussian DOS is the existence of the so called equilibration energy. With the help of computer simulations, we study the relaxation of charge carriers and their corresponding diffusive character in a zero electric field region. The relaxation time is of key importance for the analysis of analytical and numerical results in this study because it determines the transition from dispersive to non dispersive (Gaussian) transport behavior. So this project reviews the strong dependence of relaxation time on temperature. We propose also a Gaussian disordered model (GDM) based on the hopping transport theory of charge carriers (non-interacting particles) to study the relaxation phenomena, the equilibration energy ⟨"∞⟩ and the effect of diffusion in thermal equilibrium in the absence of electric field.In addition we reproduced numerical results of the mean energy and dispersion of charged carriers using the model we have designed and compared our results with those in the literature, found using kinetic Monte-carlo simulation techniques for different values of temperature. Through our simulation, we observed that the mean energy of the particles and the carrier diffusion are both depend on temperature and our analytical discussion also approves the same phenomena



Diffusion Coefficient and Average Energy