Structural and Magnetic Properties of Co Thin Films on Au(111) Substrates

The structural and magnetic properties of thin Co films grown on Au(111) substrates are investigated using ab initio local-spin-density calculations in the generalized gradient approximation. It is shown that a large lattice intermismatch between Co and Au(111) leads to a strong contraction of the interlayer distances within the Co layer, which adopts either the hexagonal close-packed (α-phase) or the face-centered cubic (β-phase) structure of bulk Co. Magnetic moments in the Co layer are increased beyond their value in bulk Co, the enhancement being strongest at the free surface and at the Co/Au interface, and more modest in the central part of the adlayer. Moderating influence of capping Ag layers on the structure and the magnetic properties of the films has also been considered. It is shown that Ag capping reduces the magnetic moments in comparison to uncovered Co/Au systems