中国物理B ›› 2007, Vol. 16 ›› Issue (7): 2091-2095.doi: 10.1088/1009-1963/16/7/048

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Two-step dissociation of a polaron in conjugated polymers

刘晓静1, 高琨1, 李元1, 魏建华1, 解士杰2   

  1. (1)School of Physics and Microelectronics, Shandong University, Jinan 250100, China; (2)School of Physics and Microelectronics, Shandong University, Jinan 250100, China;State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
  • 收稿日期:2006-08-14 修回日期:2007-01-24 出版日期:2007-07-20 发布日期:2007-07-04
  • 基金资助:
    Project supported by the Major Program of the National Natural Science Foundation of China (Grant Nos 10474056, 90403110 and 10574082).

Two-step dissociation of a polaron in conjugated polymers

Liu Xiao-Jing(刘晓静)a), Gao Kun(高琨)a), Li Yuan(李元)a), Wei Jian-Hua(魏建华)a), and Xie Shi-Jie(解士杰)a)b)   

  1. a School of Physics and Microelectronics, Shandong University, Jinan 250100, China; b State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
  • Received:2006-08-14 Revised:2007-01-24 Online:2007-07-20 Published:2007-07-04
  • Supported by:
    Project supported by the Major Program of the National Natural Science Foundation of China (Grant Nos 10474056, 90403110 and 10574082).

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摘要： We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schr\"{o}dinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.

关键词: conjugated polymer, polaron, dynamics

Abstract: We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schr?dinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.

Key words: conjugated polymer, polaron, dynamics

中图分类号:  (Polarons and electron-phonon interactions)

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