title: Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctions.
abstract: Charge transport signatures of a carbon-based molecular switch consisting of different tautomers of metal-free porphyrin embedded between graphene nanoribbons is studied by combining electronic structure and nonequilibrium transport. 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.
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.|Dresden Center for Computational Materials Science, TU Dresden , 01062 Dresden, Germany.
authors.forename: Daijiro
authors.initials: D
authors.lastname: Nozaki
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.
authors.lastname: Lokamani
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.|Max Planck Institute for the Physics of Complex Systems , 01187 Dresden, Germany.
authors.forename: Alejandro
authors.initials: A
authors.lastname: Santana-Bonilla
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.
authors.forename: Arezoo
authors.initials: A
authors.lastname: Dianat
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.
authors.forename: Rafael
authors.initials: R
authors.lastname: Gutierrez
authors.affiliation: Institute for Materials Science, TU Dresden , 01062 Dresden, Germany.|Dresden Center for Computational Materials Science, TU Dresden , 01062 Dresden, Germany.|Center for Advancing Electronics Dresden, TU Dresden , 01062 Dresden, Germany.
authors.forename: Gianaurelio
authors.initials: G
authors.lastname: Cuniberti
keywords: carbon based electronics; molecular scale devices; molecular switches; negative differential resistance; quantum interference