Nonadiabatic simulations of polaron dynamics -: art. no. 235205

被引：129

作者：

Johansson, AA ^{[1
]}

Stafström, S ^{[1
]}

机构：

[1] Linkoping Univ, IFM, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden

来源：

PHYSICAL REVIEW B | 2004年 / 69卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.69.235205

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Polaron drift in an external electric field and the dynamics following insertion of an electron have been simulated in a one-dimensional conjugated polymer chain. The simulations were performed by solving the time-dependent Schrodinger equation and the lattice equation of motion simultaneously and nonadiabatically. We observed a step-like transition from sonic to supersonic polaron velocities around a field strength of 0.14 mV/A. This behavior is observed to be directly related to decoupling of the acoustic and optical characters of the lattice vibrations associated with the polaron. Thermalization of hot (excited) electrons was shown to occur at a subpicosecond time scale. This process is highly nonadiabatic and strongly coupled to the lattice vibrations.

引用

页码：235205 / 1

页数：7

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