Tight-binding model for amine-terminated oligophenyl molecular junctions formed with carbon electrodes

We measured the conductance of a series of amine-terminated oligophenyl molecular junction formed with carbon electrodes by using a scanning tunneling microscope based break-junction technique. The tight-binding model that includes the molecular backbone states accurately captured the experimentally...

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Bibliographic Details
Published in:Journal of the Korean Physical Society 2015, 66(10), , pp.1499-1502
Main Authors: Kim, Deok Hyeon, Kim, Taekyeong
Format: Article
Language:English
Subjects:
Mathematical and Computational Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Theoretical
물리학
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Summary:We measured the conductance of a series of amine-terminated oligophenyl molecular junction formed with carbon electrodes by using a scanning tunneling microscope based break-junction technique. The tight-binding model that includes the molecular backbone states accurately captured the experimentally measured the molecular conductance and the exponential decay trend of the conductance with the molecular backbone length. Furthermore, we found that this model tracked successfully the shift of the highest occupied molecular orbital toward the Fermi energy as increasing the molecular length. Finally, we found that the tight-binding model explaining more week coupling strength with the graphite electrode than that with the Au electrode is in quantitative agreement with the density functional theory calculations.
ISSN:0374-4884
1976-8524
DOI:10.3938/jkps.66.1499