Solid state effects on exciton states and optical properties of PPV

Abstract

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.

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

References in corpus (1)

• Ab-initio calculation of optical absorption in semiconductors: A density-matrix description

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