基于综合考虑了电子与声子以及电子与电子相互作用的理论模型，采用数值方法计算了在外电场作用下共轭高聚物分子中电荷的迁移率，讨论了大小极化子共存并相互作用对分子链内电荷迁移率的影响。研究发现，电荷迁移率明显受大小极化子的载荷性质的影响，当大小极化子具有相同电性时，在低电场范围内，分子内电荷迁移率由大极化子运动性质主导，而在高电场范围内，分子内电荷迁移率由小极化子主导；另一方面，当大小极化子具有相反电性时，电荷迁移率只由大极化子运动性质主导，与电场强度无关。此外，还讨论了电子与电子相互作用对电荷迁移率的影响。%Based on a theoretical model including electron -phonon and electron -electron interactions , numerically we calculated the intrachain charge mobility of a conjugated polymer chain and discussed the effects of interaction between bipolaron and polaron upon the charge mobility .It is found that the charge mobility is greatly affected by the charge carried by the polarons .As the two species have connatural charge ,the intrachain charge mobility is dominated by the bipolaron transport property in the low range of electric fields .In contrast ,in the high range of electric fields ,the intrachain charge mobility is domi-nated by the polaron transport property .On the other hand ,as the two species are oppositely charged , the intrachain charge mobility is always dominated by the bipolaron transport property independent of the electric field strength .In addition ,the electron and electron interaction was also shown to have effects on the intrachain charge mobility .
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