Insulator-metal transition in biased finite polyyne systems

Abstract

A method for the study of the electronic transport in strongly coupled electron-phonon systems is formalized and applied to a model of polyyne chains biased through metallic Au leads. We derive a stationary non equilibrium polaronic theory in the general framework of a variational formulation. The numerical procedure we propose can be readily applied if the electron-phonon interaction in the device hamiltonian can be approximated as an effective single particle electron hamiltonian. Using this approach, we predict that finite polyyne chains should manifest an insulator-metal transition driven by the non-equilibrium charging which inhibits the Peierls instability characterizing the equilibrium state.

to appear at EPJB

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Cited by in corpus (5)

• Non-equilibrium transport through molecular junctions in the quantum regime
• Thermoelectric effects in molecular quantum dots with contacts
• Energy structure, density of states and transmission properties of the periodic 1D Tight-Binding lattice with a generic unit cell of $u$ sites
• Polarons and charge carrier solvation on conjugated carbon chains: A comparative ab initio study
• A comparative ab initio study of neutral and charged kink-solitons on conjugated carbon chains