Regensburg 2016 – scientific programme
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DS: Fachverband Dünne Schichten
DS 41: Transport: Molecular Electronics and Photonics I
(Joint session of CPP, DS, HL, MA, O and TT, organized by TT)
DS 41.12: Talk
Thursday, March 10, 2016, 12:30–12:45, H23
Switchable negative differential resistance induced by quantum interference effects in porphyrin-based molecular junctions — •Daijiro Nozaki1, Lokamani Lokamani2, Alejandro Santana-Bonilla2, Arezoo Dianat2, Rafael Gutierrez2, Gianaurelio Cuniberti2, and Wolf Gero Schmidt1 — 1Lehrstuhl für Theoretische Physik, Universität Paderborn, Paderborn, Germany — 2Institute for Materials Science, TU Dresden, Dresden, Germany
Charge transport through a carbon-based molecular switch consisting of different tautomers of metal-free porphyrin embedded between graphene nanoribbons is studied by combining electronic structure calculations and nonequilibrium Green’s function formalism. Different low-energy and low-bias features are revealed, including negative differential resistance (NDR) and antiresonances, both mediated by subtle quantum interference effects. Moreover, the molecular junctions can display moderate rectifying or nonlinear behavior depending on the position of the hydrogen atoms within the porphyrin core. We rationalize the mechanism leading to NDR and antiresonances by providing a detailed analysis of transmission pathways and frontier molecular orbital distribution.
D. Nozaki, J. Phys. Chem. Lett. 6, 3950 (2015).