We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-ray magnetic 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, dⁿE+dⁿ⁺¹, where E represents a substrate electron antiferromagnetically coupled to the central metal ion and dⁿ 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.
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Stepanow et al. (2011) studied this question.
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