电子-电子相互作用对trion静态性质的影响

Effects of Electron-electron Interactions on the Static Properties of Trions in Conjugated Polymers

基于一维紧束缚SSH模型和扩展的Hubbard模型,采用非绝热分子动力学方法,在非限制性Hartree-Fock(HF)平均场近似下,研究了三粒子复合体trion的静态性质.trion比极化子、双极化子具有更大的束缚能、稳定性和有效质量;电子-声子耦合和电子间相互作用均增强trion的局域度,并导致其有效质量增大,稳定性增强.

Based on the one-dimensional tight-binding Su-Schrieffer-Heeger（SSH）model and the extended Hubbard model（EHM）,using an nonadiabatic molecular dynamics method,the static properties of trions in conjugated polymers at the unrestricted hartree-fock（UHF）level was investigated.Trion possesses the larger binding energy,stability and effective mass than those of both the polaron and the bipolaron.The electron-electron and electron-phonon interactions all strengthen the localization,effective mass and stability of the trion.