First principles investigations of 4d magnetism on C(0001)

Abstract
Possible 4d magnetism in X/C(0001) (X=Pd, Rh, and Ru) is investigated using the full potential linearized augmented plane wave method. We find that while small magnetic moments of 0.24 and 0.28 μB can survive for Rh and Ru on C(0001), the magnetism of Pd is completely diminished. Due to the unexpectedly strong interfacial interaction between the overlayer and the flat C(0001) substrate, the magnetic moment is very sensitive to changes in the interlayer distances.