Regensburg 2016 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 46: Organic Semiconductors
HL 46.5: Talk
Wednesday, March 9, 2016, 11:00–11:15, H13
Correlation of Crystalline Structure and Optical Properties of Perylene: a Comprehensive Experiment-Theory Comparison — •Andre Rinn1, Tonatiuh Rangel2, Andrè Pick1, Gregor Witte1, Leeor Kronik3, Jeffrey Neaton2, and Sangam Chatterjee1 — 1Faculty of Physics, Philipps Universität Marburg, Renthof 5, D-35032 Marburg, Germany — 2Molecular Foundry, Lawrence Berkeley National Laboratory, University of California, Berkeley, 1 Cyclotron Road, MS 67R3207 Berkeley, CA 94720, U.S.A. — 3Faculty of Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel
Aromatic molecules such as perylene and its derivatives find wide spread usage in electronic devices and as dyes as this class of material shows strong light-matter coupling. Here, we show a comprehensive study of the optical properties of the model semiconductor perylene. It adopts two distinctive crystalline polymorphisms, both of which show vastly different excitonic structure and carrier dynamics. The comparison of a detailed theoretical analysis based on first-principles calculations with the polarization-resolved experimental linear absorption spectra yields excellent agreement. In particular, we discuss the importance of electron-hole interaction effects beyond a standard two-particle picture and implications of different approximations commonly made in calculations using density functional theory and many-body perturbation theory formalisms.