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Many recent calculations have been performed to study a Co atom adsorbed ongraphene, with significantly varying results on the nature of the bonding. Weuse auxiliary-field quantum Monte Carlo (AFQMC) and a size-correction embeddingscheme to accurately calculate the binding energy of Co on graphene. We findthat as a function of the distance h between the Co atom and the six-foldhollow site, there are three distinct ground states corresponding to threeelectronic configurations of the Co atom. Two of these states provide bindingand exhibit a double-well feature with nearly equal binding energy of 0.4 eV ath = 1.51 and h = 1.65 angstroms, corresponding to low-spin $^2$Co (3d9 4s0) andhigh-spin $^4$Co (3d8 4s1), respectively.

Ab Initio Many-body Study of Cobalt Adatoms Adsorbed on Graphene