2004/01/27 by K. Hannewald, Karsten Hannewald, Hannewald, K. +2
Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Molecular Junctions and Nanostructures #Organic and Molecular Conductors Research #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.cond-mat/0401547
submitted to PRL
arxiv created 2004/01/27 · openalex publication_date 2004/01/27 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a novel theory of charge-carrier mobilities in organic molecular crystals of high purity. Our approach is based on Holstein's original concept of small-polaron bands but generalized with respect to the inclusion of nonlocal electron-phonon coupling. We derive an explicit expression for the mobilities as a function of temperature and, using ab-initio methods to obtain the material parameters, we demonstrate its predictive power by applying it to naphthalene. The results show a remarkably good agreement with experiments and provide new insight into the difference between electron and hole mobilities as well as their peculiar algebraic and anisotropic temperature dependences.