Ab initio tight-binding study of exciton optical and electro-optic properties of conjugated polymers

被引：5
作者：
Pedersen, TG [1 ]
Lynge, TB [1 ]
机构：
[1] Univ Aalborg, Inst Phys, DK-9220 Aalborg, Denmark
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2003年 / 27卷 / 1-2期
关键词：
tight-binding; excitons; electro-optics; conjugated polymers;
D O I：
10.1016/S0927-0256(02)00435-4
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A simplified ab initio description of excitons in conjugated polymers is presented. Electron-hole pair states are derived from the Bethe-Salpeter equation using an expansion in density-functional based tight-binding states. The pair states, in turn, provide the optical and electro-optic response of the polymer. As examples, optical and electro-optic spectra of poly(para-phenylene vinylene) and poly(para-phenylene) are presented. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：123 / 127
页数：5
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