Regensburg 2016 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 65: Transport: Molecular Electronics and Photonics 1
(Joint session of CPP, DS, HL, MA, O and TT organized by TT)

TT 65.12: Vortrag

Donnerstag, 10. März 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).