Study of Structure and Strain in Au/Cu Systems Using Molecular Dynamics Simulation: X-Ray Scattering Analysis

Abstract

The aim of this work is to investigate structure and stress evolution in Au/Cu bilayer systems during deposition. The approach used here is based on an embedded atom method (EAM). interatomic potential database for different metal elements, their alloys and multilayers. We applied the kinematical scattering theory to calculate the X-ray scattering profiles. In this case the X-ray scattering techniques are used for the structural characterization of crystal structures obtained from simulation data. This method was applied to determine the lattice parameters in any directions. The lattice parameters in deposited layers were directly determined by the analysis of X-ray diffraction profiles. Results shows that on the interface of Au/Cu system, the crystalline lattice of Au layer is fitted to crystalline lattice of Cu layer. We found that deformation of the crystal lattice near the interface has a major influence on the stress.