Correlation effects on the dynamics of bipolarons in nondegenerate conjugated polymers.
By employing an adaptive time-dependent density-matrix-renormalization-group method, we investigate the dynamics of a charged bipolaron in the presence of both electron-phonon and electron-electron interactions. We use a Su-Schrieffer-Heeger model modified to include electron-electron interactions via a Hubbard Hamiltonian, a Brazovskii-Kirova symmetry-breaking term, and an external electric field. Our results show that the velocity of the bipolaron increases first and then decreases with the increasing of the on-site Coulomb interaction, U. Furthermore, the dependence of the bipolaron velocity, bipolaron effective mass, and bipolaron stability on the lattice structures is discussed.
Zhao
Hui
H
Department of Physics, Tongji University, Shanghai 200092, China. zhaoh@fudan.edu.cn
Chen
Yu-Guang
YG
Zhang
Xu-Ming
XM
An
Zhong
Z
Wu
Chang-Qin
CQ
D003198:Computer Simulation; D004583:Electrons; D008956:Models, Chemical; D011108:Polymers / Q000737:chemistry*; D013997:Time Factors
D011108:Polymers