Abstract
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 3 electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, , where represents a substrate electron antiferromagnetically coupled to the central metal ion and 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.
- Received 21 March 2011
DOI:https://doi.org/10.1103/PhysRevB.83.220401
©2011 American Physical Society