Magnetic Properties of Fe Thin Films on Cu(111)

Abstract

We investigate magnetic properties of Fe thin films on Cu(111), within the density functional theory. We calculate the total energy and the magnetic moment as a function of the Fe–Cu interlayer distance d. We find the energy minimum at d=2.16 Å. In this case, the magnetic moment per atom is larger than that in the Fe bulk. We also find that interaction between Fe atoms is ferromagnetic in 2× 2 unit cell. On the basis of numerical results, we discuss the origin of these magnetic properties.