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We examine the adsorption of a single Ni atom on a monolayer of MgO on a Agsubstrate using DFT and DFT+U computational approaches. We find that theelectronic and magnetic properties vary considerably across the three bindingsites of the surface. Two of the binding sites are competitive in energy, andthe preferred site depends on the strength of the on-site Coulomb interactionU. These results can be understood in terms of the competition between bondingand magnetism for surface adsorbed transition metal atoms. Comparisons are madewith a recent experimental and theoretical study of Co on MgO/Ag, andimplications for scanning tunneling microscopy experiments on the Ni system arediscussed.

Site-dependent magnetism of Ni adatoms on MgO/Ag(001)