Theory of polaron bandwidth narrowing in organic molecular crystals

被引:238
作者
Hannewald, K
Stojanovic, VM
Schellekens, JMT
Bobbert, PA
Kresse, G
Hafner, J
机构
[1] Eindhoven Univ Technol, Grp Polymer Phys, Eindhoven Polymer Labs, NL-5600 MB Eindhoven, Netherlands
[2] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria
来源
PHYSICAL REVIEW B | 2004年 / 69卷 / 07期
关键词
D O I
10.1103/PhysRevB.69.075211
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a theoretical description of polaron bandwidth narrowing in organic molecular crystals. Based on a solution of a Holstein-Peierls model for tightly bound electrons interacting with phonons, an explicit expression for the temperature dependence of the electronic bandwidths is found. This formula generalizes the result of Holstein polaron theory by treating local and nonlocal electron-phonon coupling on equal footing. The usefulness of the method is demonstrated by model studies for oligo-acene crystals from which microscopic insight into the relevance of the different coupling mechanisms is obtained.
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页数:7
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