Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations

Abstract

We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the response of the junction to elastic deformation is examined. We show that this procedure makes a detailed characterization of the molecular junction possible. In particular, our results indicate that tunneling takes place through just a single molecule.

5 pages, 4 figures (accepted in Phys. Rev. B)

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• Hierarchical quantum master equation approach to charge transport in molecular junctions with time-dependent molecule-lead coupling strengths
• Inelastic Tunneling Spectroscopy of Gold-Thiol and Gold-Thiolate Interfaces in Molecular Junctions: The Role of Hydrogen
• The Role of the Magnetic Anisotropy in Atomic-Spin Sensing of 1D Molecular Chains
• Non-equilibrium transport with self-consistent renormalised contacts for a single-molecule nanodevice with electron-vibron interaction
• Non-equilibrium renormalised contacts for transport in nanodevices with interaction: a quasi-particle approach