Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2004-01-27
Physics
Condensed Matter
Soft Condensed Matter
submitted to PRL
Scientific paper
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.
Bobbert P. A.
Hannewald Karsten
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