Misfit dislocation structures in these multi-layers, where the lattice parameter misfit was very large, were considered. Molecular dynamics simulations were used to model the vapor-phase growth of (111)-oriented multi-layers. The simulations revealed the formation of misfit dislocations at both the Au/Ni0.8Fe0.2 and the Ni0.8Fe0.2/Au interfaces. The dislocation configuration and density were found to be in good agreement with previously reported high-resolution transmission electron microscopic observations. Additional atomic-scale simulation of a model Ni-Au system indicated that dislocations were nucleated as the first Ni layer was deposited onto Au. These dislocations had an (a/6)<112> Burgers vector; typical of a Shockley partial dislocation. Each dislocation created an extra {220} plane in the smaller lattice parameter Ni layer. These misfit-type dislocations effectively relieve the misfit strain. The results also indicated that the dislocation structure was insensitive to the energy of the deposited atoms. Manipulation of the deposition process was therefore not expected to reduce this component of the defect population.

Misfit Dislocations in Gold/Permalloy Multilayers. X.W.Zhou, H.N.G.Wadley: Philosophical Magazine, 2004, 84[2], 193-212