Interplay between electron-electron and electron-vibration interactions on the thermoelectric properties of molecular junctions

Abstract

The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic approach is generalized to include large Coulomb repulsion through a self-consistent procedure and applied to the investigation of large molecules, such as fullerenes, within the Coulomb blockade regime. The focus is on the phonon thermal conductance which is quite sensitive to the effects of strong electron-electron interactions within the intermediate electron-vibration coupling regime. The electron-vibration interaction enhances the phonon and electron thermal conductance, and it reduces the charge conductance and the thermopower inducing a decrease of the thermoelectric figure of merit. For realistic values of junction parameters, the peak values of the thermoelectric figure of merit are still of the order of unity since the phonon thermal conductance can be even smaller than the electron counterpart.

8 pages, 1 Appendix, 12 pages. arXiv admin note: substantial text overlap with arXiv:1406.3771

References in corpus (30)

• Molecular Transport Junctions: Vibrational Effects
• The Kondo effect in C${}_{60}$ single-molecule transistors
• Thermoelectric energy harvesting with quantum dots
• Quantum limit of heat flow across a single electronic channel
• Giant thermopower and figure of merit in single-molecule devices
• Heat dissipation in atomic-scale junctions
• Vibrational and electronic heating in nanoscale junctions
• Optimal thermoelectric figure of merit of a molecular junction
• Resonant electron heating and molecular phonon cooling in single C${}_{60}$ junctions
• Adiabatic pumping through interacting quantum dots
• Quantum thermal transport from classical molecular dynamics
• Self-consistent theory of molecular switching
• Coherent phonon scattering effects on thermal transport in thin semiconductor nanowires
• First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions
• Inelastic effects in molecular junction transport: Scattering and self-consistent calculations for the Seebeck coefficient
• Semi-classical dynamics of nano-electromechanical systems
• Vibrational cooling and thermoelectric response of nanoelectromechanical systems
• Tunable Hybrid Quantum Electrodynamics from Non-Linear Electron Transport
• Phonon Interference Effects in Molecular Junctions
• Long transient dynamics in the Anderson-Holstein model out of equilibrium
• Coherent properties of nano-electromechanical systems
• Adiabatic Charge Pumping through Quantum Dots in the Coulomb Blockade Regime
• Electron-vibration effects on the thermoelectric efficiency of molecular junctions
• Conductance of a molecule with a center of mass motion
• Effects of the electron-phonon coupling near and within the insulating Mott phase
• Single-parameter adiabatic charge pumping in carbon nanotube resonators
• Effects of electron-phonon coupling range on the polaron formation
• Noise-assisted Thouless pump in elastically deformable molecular junctions
• Transient dynamics of an adiabatic NEMS
• Carbon nanotube sensor for vibrating molecules

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