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苯环取代聚乙炔是一类具有简并基态的发光聚合物.利用扩展的SuSchriefferHeeger模型,研究了这类聚合物链中的孤子、极化子等元激发特性.结果表明:由于苯环与聚乙炔主链间的强π电子耦合,苯环取代抑制了聚乙炔主链的二聚化,减小了导带与价带之间的能隙;因此取代聚乙炔中的元激发具有较小的激发能,同时具有更大的相干长度.尽管苯基取代对元激发有很大的影响,但是非取代聚乙炔中元激发的基本物理规律依然成立,表明这些元激发的基本特性不受取代基团的影响
关键词:
孤子
极化子
苯基取代聚乙炔 相似文献
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Being driven by an external electric field a polaron carrying both spin 1/2 and charge ±e moves at a constant speed in a polymer chain. When the polaron passes through a specific site, which couples to a magnetic impurity via spin-exchange interactions, its spin undergoes a spin-flip process if it is antiparallel to the impurity spin. Our numerical simulation shows that (a) a swap-like operation is performed between the polaron and impurity during the scattering process (b) polarons might be good candidates to be information carriers in the molecular scale. 相似文献
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Using a nonadiabatic evolution method, we investigate the spin-flip process of polaron in polymers with a magnetic impurity. Our results show that when the spin orientation of this impurity is fixed to be perpendicular to the spin of polaron (θ = π/2), the magnetic impurity causes a spin-flip process. The probability of the spin-flip increases with the increase of exchange integral J up to about 0.35 eV and then decreases with the increase of J. In the case J is fixed while the spin orientation is adjustable, we find the probability of the spin-flip varies with the impurity orientation and reaches a maximum value at θ=π/2. 相似文献
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