温度对共轭聚合物中极化子稳定性的影响

Effect of temperature on polaron stability in conjugated polymers

在紧束缚近似下,基于SSH模型,利用非绝热动力学方法,研究了温度对于聚合物中极化子稳定性的影响。热效应通过郎之万方程引入的热随机力来描述,温度区域选在150K到350K之间。研究发现,在这个温度区域内,初始定域性完好的极化子会变得扩展,极化子保持定域态的时间随温度的升高而变短。考虑温度效应后,极化子的解离电场大大降低。

Effect of temperature on the polaron stability in conjugated polymers is investigated within the SSH model. The temperature effect is simulated by introducing random forces to the equation of the lattice motion. It is found that the localized polaron state becomes delocalized even at low temperatures. The time of polaron keeping localized depends on the magnitude of temperatures. By taking into account the thermal effect, we find that the dissociation field is weaker compared with earlier works.