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Effects of electron coupling to intramolecular and intermolecular vibrational modes on the transport properties of single-crystal organic semiconductors

机译:电子耦合到分子内和分子间振动模式对单晶有机半导体传输特性的影响

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Electron coupling to intramolecular and intermolecular vibrational modes is investigated in models appropriate to single-crystal organic semiconductors, such as oligoacenes. The focus is on spectral and transport properties of these systems beyond perturbative approaches. The interplay between different couplings strongly affects the temperature-band renormalization that is the result of a subtle equilibrium between opposite tendencies: band narrowing due to interaction with local modes and band widening due to electron coupling to nonlocal modes. The model provides an accurate description of the mobility as a function of temperature: Indeed, it has the correct order of magnitude at low temperatures, it scales as a power law T~(-8) with the exponent larger than unity, and, at high temperatures, it shows a hopping behavior with a small activation energy.
机译:电子耦合到分子内和分子间的振动模式是在适合单晶有机半导体的模型中研究的,例如低聚乙炔。除了扰动方法外,重点是这些系统的光谱和传输特性。不同耦合之间的相互作用会严重影响温度带的重新归一化,这是相反趋势之间微妙平衡的结果:由于与局部模式相互作用而导致的谱带变窄以及由于电子与非局部模式耦合而引起的谱带扩宽。该模型可以准确地描述随温度变化的迁移率:确实,它在低温下具有正确的数量级,可以按幂定律T〜(-8)进行缩放,并且指数大于1。在高温下,它的跳变行为具有较小的活化能。

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