Magnetism of 3d transition metal atom on Au(110)-(1x2) and Au(111) surfaces

Abstract

We calculate the magnetism of 3d transition metals on Au(110)-(1$\times$2) surface and Au(111) surface based on the Density Functional Theory. Our results show that the spin moments of the two-side elements of the 3d group such as Ti, V, Co and Ni decrease greater values than those of the middle elements such as Cr and Mn when they absorb on the surfaces. Our results also show the orbital moments of the left-end elements Ti and V increase if they relax together with surface and decrease for the left-end elements such as Co and Ni. The absorbed 3d atoms in the middle of this group still keep the large spin moment similar to their individual atoms due to the strong electronic correlation. PACS: 75.70.Ak, 75.70.Rf, 75.75.+a, 71.15.Mb