Ab-initio theory of charge transport in organic crystals
Conference ContributionHannewald, K. & Bobbert, P.A. (2005). Ab-initio theory of charge transport in organic crystals. Proceedings of the 27th International Conference on the Physics of Semiconductors (ICPS-27), 26-30 July 2005, Arizon Northern University, Flagstaff, Arizona, USA (pp. 1101-1102). (AIP Conference Proceedings, No. 772). In Scopus Cited 13 times.
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A theory of charge transport in org. crystals is presented. Using a Holstein-Peierls model, an explicit expression for the charge-carrier mobilities as a function of temp. is obtained. Calcg. all material parameters from ab initio calcns., the theory is applied to oligo-acene crystals and a brief comparison to expt. is given.