Temperature dependence and anisotropy of charge-carrier mobilities in crystalline durene

We report on the theoretical analysis of charge-carrier mobilities in durene crystals. The crystal is studied with DFT methods to examine structural, vibrational, and electronic properties. On that basis we employ a Holstein-Peierls model (see Hannewald et al. PRB \textbf{69}, 075211 (2004); PRB \textbf{69}, 075212 (2004)) to simulate the temperature dependence of the mobilities. The relation between the anisotropy of electron/hole mobilities and the band structure as well as lattice vibrations is discussed.