Dresden 2020 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 96: Organic Electronics and Photovoltaics IV

CPP 96.1: Talk

Thursday, March 19, 2020, 15:00–15:15, ZEU 260

Single particle spectral functions of the Holstein model for organic crystals — •Michel Panhans and Frank Ortmann — Center for Advancing Electronics Dresden, Technische Universität Dresden, 01069 Dresden

Despite multifaceted theoretical efforts to understand the effect of electron-phonon interaction on electrons and holes in organic semiconductors, there is no unbiased approach to justify or falsify typical approximations in the existing theories. One of the central questions is under which conditions a classical or a quantum treatment of the vibrations is appropriate. We present a numerical method to study the role of electron-phonon coupling in the Holstein model for single-particle spectral functions of polarons. We compare the spectral functions of an exact treatment of electron-phonon coupling with the static approximation where the modes are decoupled. We find parameter regions where such a treatment of the modes is or is not justified. We therefore are able to separate modes that may be treated quasi-classically or quantum mechanically. The results can be used to predict single-particle spectral functions for organic model crystals such as rubrene.