Manipulation of the magnetic state of a porphyrin-based molecule on gold: From Kondo to quantum nanomagnet via the charge fluctuation regime

Abstract

By moving individual Fe-Porphyrin-based molecules with the tip of Scanning Tunneling Microscope in the vicinity of a Br-atom containing elbow of the herringbone-reconstructed Au(111), we reversibly and continuously control their magnetic state. Several regimes are obtained experimentally and explored theoretically: from the integer spin limit, through intermediate magnetic states with renormalized magnetic anisotropy, until the Kondo-screened regime, corresponding to a progressive increase of charge fluctuations and mixed valency due to an increase in the interaction of the molecular Fe states with the substrate Fermi sea. Our results open a route for the realization, tuning and experimental studies of novel quantum magnetic states in molecule-surface hybrids.

8 pages, 4 figures second version

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Mechanical Control of Spin States in Spin-1 Molecules and the Underscreened Kondo Effect
• Valence fluctuations in a lattice of magnetic molecules: application to iron(II) phtalocyanine molecules on Au(111)