Magnetic properties of 3d transition metal monolayers on metal substrates

We report results of systematic calculations for magnetic properties of 3d transition metal monolayers on Pd(001) and Ag(001). We find large similarities to interactions of magnetic 3d impurities in the bulk. Therefore the overlayer results are supplemented with results for 3d dimers in Cu, Ag, and Pd. Differences between the two classes of systems are utilized to reveal the interaction within the overlayers and between overlayers and substrates. In virtually all cases we find both ferromagnetic and antiferromagnetic solutions, showing large magnetic moments and similar densities of states. From the trend of the calculations we conclude that V, Cr, and Mn overlayers favor the antiferromagnetic c(2×2) structure, while Ti, Fe, Co, and Ni prefer the ferromagnetic one.