Two-dimensional deformation potential model of mobility in small molecule organic semiconductors

An acoustic deformation potential model appropriate for transport in two dimensions is employed to estimate upper limits on the intrinsic hole mobility of DNTT-C10 [ 2,9-dialkyl-dinaphtho[2,3-b:2,3-f ]thieno[3,2-b]thiophene ], and BTBT-C12 [ 2,7-dialkyl[1]benzo-thieno[3,2-b][1]benzothiophene ]. Comparison is made to calculations for a thin-film pentacene structure. First-principles calculations are employed to determine the values of effective masses, deformation potentials and elastic constants entering the model. The effective masses calculated for the holes in DNTT-C10 and BTBT-C12 are significantly less than those obtained for the thin-film pentacene, and this difference is expected to give rise to better hole transport in these materials.

Citation

Northrup J. E., Two-dimensional deformation potential model of mobility in small molecule organic semiconductors. Applied Physics Letters. 2011; 99 (6): 062111.