Magnetic transitions induced by tunnelling electrons in individual adsorbed M-Phthalocyanine molecules (M $\equiv$ Fe, Co)

Abstract

We report on a theoretical study of magnetic transitions induced by tunnelling electrons in individual adsorbed M-Phthalocyanine (M-Pc) molecules where M is a metal atom: Fe-Pc on a Cu(110)(2$\times$1)-O surface and Co-Pc layers on Pb(111) islands. The magnetic transitions correspond to the change of orientation of the spin angular momentum of the metal ion with respect to the surroundings and possibly an applied magnetic field. The adsorbed Fe-Pc system is studied with a Density Functional Theory (DFT) transport approach showing that i) the magnetic structure of the Fe atom in the adsorbed Fe-Pc is quite different from that of the free Fe atom or of other adsorbed Fe systems and ii) that injection of electrons (holes) into the Fe atom in the adsorbed Fe-Pc molecule dominantly involves the Fe $3d_{z^2}$ orbital. These results fully specify the magnetic structure of the system and the process responsible for magnetic transitions. The dynamics of the magnetic transitions induced by tunnelling electrons is treated in a strong-coupling approach. The Fe-Pc treatment is extended to the Co-Pc case. The present calculations accurately reproduce the strength of the magnetic transitions as observed by magnetic IETS (Inelastic Electron Tunnelling Spectroscopy) experiments; in particular, the dominance of the inelastic current in the conduction of the adsorbed M-Pc molecule is accounted for.

References in corpus (13)

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• Density functional method for nonequilibrium electron transport
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• Transmission eigenchannels from non-equilibrium Green's functions
• Visualizing the spin of individual molecules
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• Theory of single spin inelastic tunneling spectroscopy
• Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)
• Theory of Vibrationally Inelastic Electron Transport through Molecular Bridges
• Spin Inelastic Electron Tunneling Spectroscopy on Local Spin Adsorbed on Surface
• Theory of Inelastic Electron Tunneling from a Localized Spin in the Impulsive Approximation
• Inelastic effects in electron transport studied with wave packet propagation

Cited by in corpus (15)

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• Current noise in molecular junctions: effects of the electron-phonon interaction
• Magnetic, electronic and vibrational properties of metal and fluorinated metal phthalocyanines
• Cotunneling theory of inelastic STM spin spectroscopy
• Multi-orbital Non-Crossing Approximation from maximally localized Wannier functions: the Kondo signature of copper phthalocyanine on Ag (100)
• A cotunneling mechanism for all-electrical Electron Spin Resonance of single adsorbed atoms
• Quenching of magnetic excitations in single adsorbates at surfaces: Mn on CuN/Cu(100)
• Correlation-mediated processes for electron-induced switching between Neel states of Fe anti-ferromagnetic chains
• Many-body effects in magnetic inelastic electron tunneling spectroscopy
• Inelastic electron tunneling spectroscopy of a single nuclear spin
• A model for individual quantal nano-skyrmions
• Inelastic electron tunneling spectroscopy of a Mn dimer