Polaron dynamics in highly ordered molecular crystals

被引：45

作者：

Hultell, M. ^{[1
]}

Stafstrom, S. ^{[1
]}

机构：

[1] Linkoping Univ, Dept Phys Chem & Biol, S-58183 Linkoping, Sweden

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 428卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2006.07.042

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

From a numerical solution of the time-dependent Schrodinger equation and the lattice equation of motion we obtain a microscopic picture of polaron transport in highly ordered molecular crystals in the presence of an external electric field. We have chosen the pentacene single crystal as a model system, but study the transport as a function of the intermolecular interaction strength, J. We observe a smooth transition from a nonadiabatic to an adiabatic polaronic drift process over the regime 20 < J < 120 meV. For intermolecular interaction strengths above similar to 120 meV the polaron is no longer stable and the transport becomes band like. (c) 2006 Elsevier B.V.. All rights reserved.

引用

页码：446 / 450

页数：5