Optical excitations in conjugated polymers

被引：251

作者：

Rohlfing, M

Louie, SG

机构：

[1] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 82卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.82.1959

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We investigate optical absorption spectra and excitons in conjugated polymers from first principles. This is done by calculating the one-particle and the two-particle Green's function, including relevant many-body effects, and evaluating quasiparticle and optical excitations. Trans-polyacetylene and poly phenylene-vinylene are studied as prototype long chain polymers. The electron-hole interaction gives rise to large exciton binding energies (similar to 1 eV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space.

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页码：1959 / 1962

页数：4

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