长程电子关联对聚噻吩中极化子的影响

采用扩展的SSH模型,加上电子相互作用和长程电子关联,用自洽迭代的方法研究了聚噻吩链中的极化子问题,计算了电子相互作用和长程电子关联对极化子位形和电荷密度的影响,获得了长程电子关联使极化子位形变小,极化子区域变窄,电荷密度震荡减弱,对聚合物中电子的输运的影响不能忽略的有益结果.

The effect of long-range electronic correlation on polaron in polythiophene

By using extended SSH model plus electron-electron interaction and long-range electron correlation, we have studied polaron of polythiophene chain and calculated the influences of electron interaction and long-range electron correlation on the lattice configuration and charge density of polaron. We find that the long-range electron correlation leads polaron zone to be narrower and the charge density vibrations to be reduced, suggesting that the long-range electron correlation cannot be ignored.