Theory and modelling of bandwidth narrowing in oligo oligo-acene crystals

摘要

We present a novel theoretical description of polaron bandwidthrnnarrowing in organic molecular crystals. Based on a solution of a mixedrnHolstein Holstein-Peierls model, we derive an explicit expression for thernbandwidths as a function of temperature. This formula gen generalizes therneralizes result of the Holstein polaron theory by treating local and nonlocalrnelectron electron-phonon coupling on equal footing. From the subsequentrnapplication to oligo oligo-acene crystals, we obtain new microscopic insight intornthe relevance of the different coup coupling mechanisms which allows us tornling explain various experimental findings.