Ferromagnetism and antiferromagnetism of 3d-metal overlayers on metals

We report systematic calculations based on the full-potential linearized augmented-plane-wave method for the whole transition-metal series (V,Cr,Mn,Fe,Co,Ni) as overlayers on the Pd(001) surface. An energy analysis shows that Fe, Co, and Ni overlayers favor the ferromagnetic p(1×1) configuration, but V, Cr, and Mn, the antiferromagnetic c(2×2) superstructure. We conjecture that this result is a general trend which should also be found on the (001) surfaces of Pt and the noble metals.