文献类型：期刊文献

中文题名：Electron Correlation Effects in Polaron-Pair Recombination in Conjugated Polymers

英文题名：Electron Correlation Effects in Polaron-Pair Recombination in Conjugated Polymers

作者：Zhao Hong-Xia[1,2];Zhao Hui[1,2];Chen Yu-Guang[1,2];Yan Yong-Hong[3]

机构：[1]Tongji Univ, Minist Educ, Key Lab Adv Microstruct Mat, Shanghai 200092, Peoples R China;[2]Tongji Univ, Dept Phys, Shanghai 200092, Peoples R China;[3]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China

年份：2015

卷号：32

期号：4

中文期刊名：中国物理快报：英文版

外文期刊名：CHINESE PHYSICS LETTERS

收录：SCI-EXPANDED(收录号：WOS:000352432800022)、CSTPCD、、EI(收录号：20220711662560)、CSCD2015_2016、Scopus(收录号：2-s2.0-84926500418)、WOS、CSCD

基金：Supported by the National Natural Science Foundation of China under Grant No 11474218.

语种：英文

中文关键词：电子相关效应;极化子;共轭聚合物;重组;电子相互作用;库仑相互作用;时间依赖性;薛定谔方程

外文摘要：Within a Su-Schriffer-Heeger model modified to include electron-electron interaction and an external electric field, we investigate the dynamics of oppositely charged polarons in a polymer chain in the presence of both electron-phonon and electron-electron interactions under the influence of an external electric field. We adopt a multi-configurational time-dependent Hartree-Fock method for the time-dependent Schrodinger equation and the Newtonian equation of motion for a lattice. Our results show that the on-site Coulomb interaction is of fundamental importance and favors the recombination between the pairs of polarons, and the yield of excitons depends crucially on the strength of the on-site Coulomb interaction U. Furthermore, the influence of the nearest neighbor interaction V is also discussed.