We investigate the charge transport in synthetic DNA polymers built up from single type of base pairs. In the context of a polaronlike model, for which an electronic tight-binding system and bond vibrations of the double helix are coupled, we present estimates for the electron-vibration coupling strengths utilizing a quantum-chemical procedure. Subsequent studies concerning the mobility of polaron solutions, representing the state of a localized charge in unison with its associated helix deformation, show that the system for poly(dG)–poly(dC) and poly(dA)–poly(dT) DNA polymers, respectively possess quantitatively distinct transport properties. While the former supports unidirectionally moving electron breathers attributed to highly efficient long-range conductivity, the breather mobility in the latter case is comparatively restrained, inhibiting charge transport. Our results are in agreement with recent experimental results demonstrating that poly(dG)–poly(dC) DNA molecules acts as a semiconducting nanowire and exhibit better conductance than poly(dA)–poly(dT) ones.
We study the interaction of breathers in the context of a coupled electron-vibron lattice system. Starting with single-site excitations, it is demonstrated that constellations exist for which the coexistence of electronic and vibronic breathers is assured. The energy exchange between the vibrational and electronic subsystems and its impact on the breather formation are discussed in detail. The coupled electron-vibron dynamics shows a tendency toward energy redistribution into the vibronic degrees of freedom at the expense of the electronic energy content. Attention is paid to the relaxation dynamics in the energy exchange and we discuss the attainment of a steady regime for the coupled electron-vibron dynamics starting from a nonequilibrium state. It is demonstrated that the presence of breathers has a strong impact on the relaxation dynamics. Breathers can assist the relaxation process. With the help of a linear stability analysis, we show why the electronic subsystem acts as an energy donor while the vibron system serves as the energy acceptor. To this end we investigate the existence and stability of localized breathing eigenmodes capable of energy trapping. A frequency analysis reveals that strong exchange also occurs due to a temporal transition from single-frequency breathers to those oscillating with two frequencies and their temporal resonance interaction. Finally, the self-stabilized electron-vibron system relaxes to a combined electron-vibron breather. On increasing the electron-vibron coupling strength, only a vibronic phonobreather of large amplitude survives, whereas the electronic subsystem tends to energy equipartition.