Strain at the interface of Ni/Pd superlattices estimated from molecular dynamics (MD) simulation

Abstract

Molecular dynamics simulations of the Ni/Pd film formation process were performed by employing the embedded atom method with the high (10 eV) and low (0.1 eV) kinetic energies of incident atoms. At 10 eV, layer by layer growth with the interdiffusion of Ni and Pd atoms at the interface was observed. At 0.1 eV, an island growth mode was observed, in which Pd atoms fall onto the indented part of Ni layer, producing mixed layers of Pd and Ni atoms. The origins of the interfacial roughness are different for the cases of high and low energy of incident atoms. The dependence of the strain in Ni layers at the interface on the kinetic energy of incident atoms is in good agreement with experimental results.