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提出了描述聚对苯乙炔(PPV)晶格及电子结构的物理模型,并在该模型的基础上给出了PPV的基态及可能的极化子、双极化子激发态,并对影响激发态稳定性的因素进行了研究.A tight-binding model for conducting polymer poly(phenylene vinylene) (PPV) has been suggested in the framework of one-dimensional chains. The calculations showed that this model is effective to describe the ground state, polaron and bipolaron excitations in PPV. The stability of polarons and bipolarons was discussed by considering the effect of the dimensions, e-ph and e-e interactions.







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