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(16×2) 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