Effects of e-e interactions on the dynamics of polarons in conjugated polymers
Effects of e-e interactions on the dynamics of polarons in conjugated polymers
复制标题
e-e相互作用对共轭聚合物中极化子动力学的影响
DOI：
10.1209/0295-5075/79/17002
复制
发表时间：
2007-07
期刊：
影响因子：
1.8
通讯作者：
An, Z.
中科院分区：
文献类型：
--
作者：
Wu, C. Q.;Di, B.;Li, Y. C.;An, Z.
结合一维紧束缚Su-Schrieffer-Heeger（SSH）模型和扩展Hubbard模型（EHM），采用非绝热动力学方法研究了电子-电子相互作用对共轭高分子链中带电极化子动力学的影响.极化子的定态速度和定态速度都随在位库仑相互作用U和最近邻相互作用V的变化而变化，发现定态速度的局部极值出现在U = 2 V（U，V>0）处.此外，定性地给出了极化子的速度与晶格结构之间的关系。
Combining the one-dimensional tight-binding Su-Schrieffer-Heeger (SSH) model and the extended Hubbard model (EHM), we investigate the effect of electron-electron interactions on the dynamics of a charged polaron in a conjugated polymer chain, by using a nonadiabatic dynamical method. Both the localization and the velocity of the polaron will vary with the on-site Coulomb interactions U and the nearest-neighbor interactions V. It is found that the local extremum of the stationary velocity of the polaron occurs at U≈2 V (U,V>0). Additionally, the relation between the velocity and the lattice structure of the polaron is shown qualitatively.