Spin polarization and charge transfer of Co nanoclusters coated with CO molecules

We have investigated magnetic properties of Co clusters coated with CO molecules by first-principles density functional calculations. Total magnetic moment of the system decreases with the increase of CO molecule concentration regardless of adsorption sites for CO molecules. Spin polarization slightly increases as CO molecules are adsorbed on the most stable sites of Co cluster, which is caused by the increased local spin polarization of p-electrons due to charge transfer from Co clusters to CO molecules.