【摘要】 基于偶极子无序模型,研究了有机半导体格点能量之间存在空间关联的物理机理,通过数值计算得到了简立方晶格和体心立方晶格模型下格点能量的约化关联函数.研究发现,电荷与有机半导体分子的偶极矩的静电吸引可以导致有机半导体格点能量之间存在空间关联,其约化关联函数大致随格点距离的增大成反比减小.为了获得有机半导体中电荷的输运特性,本文基于关联无序模型(CDM),从求解晶格间的电荷跃迁主方程的数值解出发,模拟计算了有机半导体载流子迁移率对温度、电场及载流子浓度的依赖关系,与基于高斯无序模型的结果对比表明,关联无序模型的结果更贴近于实验结果,其迁移率对温度和载流子的浓度的依赖性比高斯无序模型弱.更多还原

【Abstract】 Based on dipolar disorder model,the physical mechanism of spatial correlations between different lattices in organic semiconductor was discovered,and after numerical computation,the correlation functions of different lattices in simple cubic model and body-centered cubic model were obtained.Through the research,we found that the electrostatic attraction between carrier-change and dipole of organic molecule led to the correlation dependence of energies in different lattices in organic semiconductor.For the purpose of obtaining the charge transport properties of organic semiconductor,based on correlated disorder model,from a numerical solution of the master equation for hopping transport in a disordered energy landscape with agaussian density of states,we determine the dependence of the charge-carrier mobility on temperature,carrier density,and electric field of correlated disorder model theoretically.Comparing with gaussian disorder model,the correlated disorder model was more suitable for the experimental current-voltage characteristics in devices based on semiconductor,and its dependence of charge-carrier mobility on temperature,carrier density and electric field was weaker.更多还原