Computer simulations of the dynamical properties of the metallic superlattices, Au/Ni

The atomic arrangements of the metallic superlattices, Au/Ni, were simulated by molecular dynamics using the empirical two-body interatomic potentials Young's modulus along the stacking direction Y(111), was calculated from the model structure simulated in the computer. Y(111) shows anomalous enhancement in the regime of short modulation wavelength, 4.5-40 AA, which is in qualitative agreement with experimental results. The vibrational local densities of states (LDOS) of atoms at and near the interface between gold and nickel layers were computed for the first time by the recursion method. The low-frequency part of the LDOS was enhanced due to the lattice mismatch.