Seebeck Coefficients in Nanoscale Junctions: Effects of Electron-vibration Scattering and Local Heating

Abstract

We report first-principles calculations of inelastic Seebeck coefficients in an aluminum monatomic junction. We compare the elastic and inelastic Seebeck coefficients with and without local heating. In the low temperature regime, the signature of normal modes in the profiles of the inelastic Seebeck effects is salient. The inelastic Seebeck effects are enhanced by the normal modes, and further magnified by local heating. In the high temperature regime, the inelastic Seebeck effects are weakly suppressed due to the quasi-ballistic transport.

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References in corpus (11)

• Molecular Transport Junctions: Vibrational Effects
• Highly conductive molecular junctions based on direct binding of benzene to platinum electrodes
• Giant thermopower and figure of merit in single-molecule devices
• Inelastic scattering and local heating in atomic gold wires
• Electron- and phonon transport in silicon nanowires: an atomistic approach to thermoelectric properties
• Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
• Cooling mechanisms in molecular conduction junctions
• Inelastic effects in molecular junction transport: Scattering and self-consistent calculations for the Seebeck coefficient
• Seebeck coefficient of thermoelectric moleculat junction: First-principles calculations
• Origin of Discrepancies in Inelastic Electron Tunneling Spectra of Molecular Junctions
• Effects of Isotope Substitution on Local Heating and Inelastic current in Hydrogen Molecular Junctions