This work focuses on the analysis of atomic distances and deformations in an Au/Cu(001) metallic interface and on the calculation of the energy of this interface. We study the possible adaptation of the atomic distances at the interface of two crystals with a considerable difference between their lattice parameters, such as found in Au and Cu. These crystals have a misfit of 12.8% of such parameters. Hence, the growing thin film-substrate interface is strained. We show how the relaxation of different substrate-cluster structures (a few monolayers) takes place on an atomic scale. We find that pseudomorphic growth is only possible when the system is a Cu cluster on top of an Au substrate. In the opposite case, Au on a Cu substrate, the system relaxes generating a network of dislocations. In particular, mean changes in the lattice parameters at the interface are quantified. In addition, we carry out the energetic analysis of these systems, which is of great interest to describe local properties such as electrical conduction.

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