Charge transport in DNA: Dependence of diffusion coefficient on temperature and electron-phonon coupling constant

The diffusion coefficient is calculated for a charge propagating along a double-stranded DNA, while it interacts with the nonlinear fluctuational openings of base pairs. The latter structural dynamics of DNA is described by the Peyrard-Bishop-Dauxois model [T. Dauxois, M. Peyrard, and A. R. Bishop, Phys. Rev. E 47, R44 (1993)], which represents essential anharmonicities of base-pair stretchings. The dependence of the diffusion coefficient on the temperature and the electron-phonon coupling constant is presented. The diffusion coefficient decreases when either the temperature or the electron-phonon coupling increases. Analytical expressions are provided that describe the temperature dependence of the diffusion coefficient. The variation of the parameters of these expressions with the electron-phonon coupling constant is also discussed. These results quantitatively demonstrate how DNA structural nonlinear dynamics affects macroscopic charge transport properties.