Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100)

By A. Mugarza, R. Robles, C. Krull, R. Korytár, Nicolás Lorente, Pietro Gambardella. 2012

206 citations recorded by the source corpus.

We present a systematic investigation of molecule-metal interactions for transition-metal phthalocyanines (TMPc, with TM = Fe, Co, Ni, Cu) adsorbed on Ag(100). Scanning tunneling spectroscopy and density functional theory provide insight into the charge transfer and hybridization mechanisms of TMPc as a function of increasing occupancy of the 3d metal states. We show that all four TMPc receive approximately one electron from the substrate. Charge transfer occurs from the substrate to the molecules, inducing a charge reorganization in FePc and CoPc, while adding one electron to ligand π orbitals in NiPc and CuPc. This has opposite consequences on the molecular magnetic moment: In FePc and CoPc the interaction with the substrate tends to reduce the TM spin, whereas, in NiPc and CuPc, an additional spin is induced on the aromatic Pc ligand, leaving the TM spin unperturbed. In CuPc, the presence of both TM and ligand spins leads to a triplet ground state arising from intramolecular exchange coupling between d and π electrons. In FePc and CoPc the magnetic moment of C and N atoms is antiparallel to that of the TM. The different character and symmetry of the frontier orbitals in the TMPc series leads to varying degrees of hybridization and correlation effects, ranging from the mixed-valence (FePc, CoPc) to the Kondo regime (NiPc, CuPc). Coherent coupling between Kondo and inelastic excitations induces finite-bias Kondo resonances involving vibrational transitions in both NiPc and CuPc and triplet-singlet transitions in CuPc.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/07d9ac63291055ee956ca5958ced0ad6bffaea4e

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In Atomic and Molecular Physics, and Optics

1. F. Evers
2. J. V. van Ruitenbeek
3. Richard Koryt'ar
4. S. Tewari

In Biomedical Engineering

1. F. Evers
2. J. V. van Ruitenbeek
3. Richard Koryt'ar
4. S. Tewari

In Electrical and Electronic Engineering

1. F. Evers
2. J. V. van Ruitenbeek
3. Richard Koryt'ar
4. S. Tewari

Citations in the corpus

• Advances and challenges in single-molecule electron transport (2019, background): “This is the case for nickel and copper phthalocyanines (NiPc and CuPc) adsorbed on Ag(100) (Korytár and Lorente, 2011; Mugarza et al., 2012).”