4.5 Article

A note on temperature-dependent band narrowing in oligo-acene crystals

Journal

JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 16, Issue 12, Pages 2023-2032

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/16/12/011

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

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