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Materials 4.0: Deep Mechanics

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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2016.03.10

Switchable negative differential resistance induced by quantum interference effects in porphyrin-based molecular junctions

Daijiro Nozaki, Lokamani Lokamani, Alejandro Santana-Bonilla, Arezoo Dianat, Rafael Gutierrez, Gianaurelio Cuniberti and Wolf Gero Schmidt

DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM)

2016.03.10; Regensburg, 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.

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Prof. Dr. Gianaurelio Cuniberti
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