Solid state effects on exciton states and optical properties of PPV

Details Solid state effects on exciton states and optical properties of PPV Solid state effects on exciton states and optical properties of PPV

2002-03-22

arxiv.org/abs/cond-mat/0203471v1

Physics

Condensed Matter

Materials Science

4 pages, 3 Figures, to be published in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.88.206403

We perform ab initio calculations of optical properties for a typical semiconductor conjugated polymer, poly-para-phenylenevinylene, in both isolated chain and crystalline packing. In order to obtain results for excitonic energies and real-space wavefunctions we explicitly include electron-hole interaction within the density-matrix formalism. We find that the details of crystalline arrangement crucially affect the optical properties, leading to a richer exciton structure and opening non-radiative decay channels. This has implications for the optical activity and optoelectronic applications of polymer films.

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