Electron-Vibration Entanglement of Resonating Dimers in Quantum Transport

Electron transport in a single molecule resulting from the superposition of its vibronic states depends on the coupling strength with the metallic leads. However, dynamical coherence and Fermionic correlation in molecule-molecule and molecule-lead coupling necessitates a critical approach to treat the current and its noise level, especially in the presence of a variable external bias for temperature-dependent conduction. Primarily, this work is a generalization of the theoretical approach of the atomic dimers to incorporate the effect of vibrational modes in current and conductance characteristics. The variation of current and differential conductance due to the external bias reveals a vibrational Coulomb blockade structure corresponding to the functioning vibrational mode in the system. The numerical demonstration for a diverse class of molecules generically shows that electron-vibration interaction can quantitatively predict the nature of coherent electron transport and current noise. Secondly, an attempt has been made to illustrate the effect of magnitude of coherence-induced noise suppression of current as a signature of electron-vibration entanglement. Finally, temperature-dependent conductance of the molecular junction in dimer structure has been estimated along with the peak shifts due to the applied gate voltage.