Two-step dissociation of a polaron in conjugated polymers

Two-step dissociation of a polaron in conjugated polymers
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共轭聚合物中极化子的两步解离

DOI:
10.1088/1009-1963/16/7/048
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发表时间:
2007-07
期刊:
CHINESE PHYSICS
影响因子:
--
通讯作者:
Xie Shi-Jie
Xie Shi-Jie
中科院分区:
其他
文献类型:
--
作者:
Gao Kun;Liu Xiao-Jing;Li Yuan;Wei Jian-Hua;Xie Shi-Jie

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通过非绝热求解含时薛定谔方程和格子运动方程,研究了极化子在电场作用下的运动。结果表明,极化子在高场下可以经历两次相变,一次是从亚音速到超音速的跃迁,另一次是从超音速到解离态的跃迁。当极化子以高于音速的速度运动时,声学模式与电荷解耦,然后在第二次跃迁时光学模式解耦,使极化子完全解离。
We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schrüdinger 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.
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