The structure at the interface of Ni/Pd bilayer films with different deposition sequences estimated from molecular dynamics simulation

Molecular dynamics simulations of the formation process of Ni/Pd bilayer films were performed by employing the embedded atom method with high (10 eV) and low (0.1 eV) kinetic energies of incident atoms for two different crystal orientations: fcc [111] and fcc [100] of Ni or Pd substrate. The tendencies of the film formation process and the interdiffusion at the interface were similar in both the [111] and [100] cases. However, the strain at the interface of films on the [100] substrate was larger than that on the [111] substrate. At the case of Pd deposited on Ni [100], the Pd film grew with the [111] symmetry and partially observed Ni[100]-c(16/spl times/2) structure. The crystal orientation of Pd layer varied from the value of the strain in Ni [100] under layer. In the crystal orientation dependencies, the value of strain in the magnetic layer at interfaces derived from simulations corresponds well to the experimental value of perpendicular magnetic anisotropy.