Abstract

We present a theoretical description of polaron band narrowing in oligo-acene crystals dueto electron–lattice interaction. The analysis is based on a model which takes both local andnonlocal contributions to the electron–phonon coupling into account. Differentapproximation schemes are discussed and compared. The theory is supplemented byquantitative ab initio calculations of the temperature dependence of polaron bandwidths inoligo-acene crystals which show the important role of in-plane nonlocal electron–phononcoupling.

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