Quantum transport through STM-lifted single PTCDA molecules
Applied Physics A: Materials Science & Processing 93, 335 (2008).
F. Pump, R. Temirov, O. Neucheva, S. Soubatch, S. Tautz, M. Rohlfing, and G. Cuniberti.
https://doi.org/10.1007/s00339-008-4837-z

Using a scanning tunneling microscope we have measured the quantum conductance through a PTCDA molecule for different configurations of the tip-molecule-surface junction. A peculiar conductance resonance arises at the Fermi level for certain tip to surface distances. We have relaxed the molecular junction coordinates and calculated transport by means of the Landauer/Keldysh approach. The zero bias transmission calculated for fixed tip positions in lateral dimensions but different tip-substrate distances show a clear shift and sharpening of the molecular chemisorption level on increasing the STM-surface distance, in agreement with experiment.

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Quantum transport through STM-lifted single PTCDA molecules
Applied Physics A: Materials Science & Processing 93, 335 (2008).
F. Pump, R. Temirov, O. Neucheva, S. Soubatch, S. Tautz, M. Rohlfing, and G. Cuniberti.
https://doi.org/10.1007/s00339-008-4837-z

Using a scanning tunneling microscope we have measured the quantum conductance through a PTCDA molecule for different configurations of the tip-molecule-surface junction. A peculiar conductance resonance arises at the Fermi level for certain tip to surface distances. We have relaxed the molecular junction coordinates and calculated transport by means of the Landauer/Keldysh approach. The zero bias transmission calculated for fixed tip positions in lateral dimensions but different tip-substrate distances show a clear shift and sharpening of the molecular chemisorption level on increasing the STM-surface distance, in agreement with experiment.

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