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

K Hannewald, V M Stojanović and P A Bobbert

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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.


PACS

71.38.-k Polarons and electron-phonon interactions

71.15.-m Methods of electronic structure calculations

63.20.K- Phonon interactions

Subjects

Condensed matter: electrical, magnetic and optical

Condensed matter: structural, mechanical & thermal

Dates

Issue 12 (31 March 2004)

Received 2 December 2003

Published 12 March 2004



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