Charge carrier mobility in quasi-one-dimensional systems: Application to a guanine stack

Abstract

First the correct expression of charge mobilities in the one-dimensional (1-D) case in the deformation potential approximation are derived in detail. They differ substantially from the usual 3-D expressions. Starting from an ab initio HF band structure of a guanine stack, the effective masses, the deformation potentials, and the 1-D electron and hole mobilities, respectively, were calculated. The mobility values obtained seem to bee quite reasonable. No attempt was made to calculate from the mobilities the conductivities because of the lack of reliable experimental data (the activation energies of the electron and hole conductivities and dopant concentrations).