摘要
采用Su-Schrieffer-Heeger(SSH)模型,并结合扩展的Hubbard模型,讨论了分子链长和电子-电子相互作用对有机共轭高分子中极化子激发态一阶极化率的影响:极化子激发态的反向极化受到分子链长的制约;同一格点电子间相互作用U抑制极化子激发态的一阶反向极化,相邻格点电子间相互作用V增强极化子激发态的一阶反向极化。以上结论为实验中观察极化子激发态的反向极化提供了理论线索。
Combining the one - dimensional tight - binding Su - Schrieffer - Heeger （SSH） model and the extended Hubbard model （EHM）, we investigate the effect of e - e interactions and chain - lengths on the polarizability of a polamn excited state in a conjugated polymer chain. The polarization reversion of polaron excited state is controlled by chain - length ; The on - site Coulomb interactions U reduces but the nearest - neighbor interactions V enlarges the polarization reversion of polaron excited state. This discovery can provide a theoretical clue for observations of polarization reversion in experiments.
出处
《张家口职业技术学院学报》
2008年第3期43-46,58,共5页
Journal of Zhangjiakou Vocational and Technical College
