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Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

By S. Stepanow, P. S. Miedema, A. Mugarza, G. Ceballos, P. Moras, J. C. Cezar, C. Carbone, F. M. F. de Groot and P. Gambardella

Abstract

We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-raymagnetic circular dichroism and ligand field multiplet calculations, we demonstrate that the 3d electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, d(n)E + d(n+1), where E represents a substrate electron antiferromagnetically coupled to the central metal ion and d(n) the many-body ionic orbital configuration of the unperturbed molecule. These results differ from previous models of hybrid metal-organic systems and provide a consistent description of their magnetic moments and Kondo physics in terms of spin and orbital multiplicity

Topics: ELECTRONIC-STRUCTURE, GROUND-STATE, SPIN, CU, MOLECULES, NI, CO
Year: 2011
OAI identifier: oai:dspace.library.uu.nl:1874/308579
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