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Effects of off‐diagonal disorder on localization of electronic excitations in mixed molecular solids

机译:对角线错乱对混合分子固体中电子激发定位的影响

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In this paper we explore the effects of off‐diagonal disorder on electronic energy transfer (EET) in an impurity band of an isotopically‐mixed, organic solid at low temperatures. We have considered the localization of an elementary excitation in a system characterized by both diagonal disorder, originating from inhomogeneous broadeningWof the site‐excitation energies, and of off‐diagonal disorder arising from the energetic spread sgr; of the transfer integrals. We have utilized an exact expression for the self‐energy of a disordered system where both the site‐excitation energies and the transfer integrals are characterized by a Lorentzian distribution, together with the localization function method of Liciardello and Economou to establish the localization condition in the center of the impurity band. Model calculations were performed for a Bethe lattice and for the Hubbard density of states, demonstrating the enhancement of delocalization due to off‐diagonal disorder, whereupon the Anderson transition (AT) will be exhibited at higher values ofWthan in the original Anderson model (OAM), when sgr;=0. For large values of the ratioW/sgr;≳12 the effects of off‐diagonal disorder are negligible. Numerical calculations of sgr; were performed for a random distribution of impurities, whileWwas roughly estimated for recent spectroscopic measurements. These data, together with the results of the model calculations for a Bethe lattice, established the existence of the critical impurity concentration ? for EET in the impurity band. Off‐diagonal disorder results in the lowering of ? relative to the OAM; however, the effect of diagonal disorder is dominant in determining the termination of EET in the impurity band.
机译:本文探讨了低温下同位素混合有机固体杂质带中对电子能量转移(EET)的影响。我们已经考虑了基本激发在以对角线无序为特征的系统中的定位,前者起源于位点的不均匀展宽,后者起源于位点的不均匀展宽,而偏斜无序则源于转移积分的能量扩散&sgr;。利用无序系统的自连字符能量的精确表达式,其中位点激发能和转移积分都以洛伦兹分布为特征,结合Liciardello和Economou的定位函数方法,建立了杂质带中心的定位条件。对贝特晶格和哈伯德状态密度进行了模型计算,证明了由于对角线紊乱导致的离域增强,因此,当 &sgr;=0 时,安德森跃迁 (AT) 将在原始安德森模型 (OAM) 中以更高的 Wthan 值表现出来。对于较大的比率W/&sgr;≳12,对角线紊乱的影响可以忽略不计。对杂质的随机分布进行了&sgr;的数值计算,而对最近的光谱测量进行了粗略估计。这些数据,加上Bethe晶格的模型计算结果,确定了EET在杂质带中存在临界杂质浓度和任务。对角线紊乱导致 ? 相对于 OAM; 降低;然而,对角线紊乱的影响在决定EET在杂质带中的终止方面占主导地位。

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