Molecular Dynamics Simulation of Grain Growth of Cu Film—Effects of Adhesion Strength between Substrate and Cu Atoms—

摘要

The growth process of Cu polycrystal films on Si, Ti, W and Ru substrate during isothermal annealing was studied by the molecular dynamics method. We focused on the influence of the adhesion strength between substrate and Cu on crystallinity and orientational order of the film. After structural relaxation at low temperature (50 K), the movements of individual Cu atoms were calculated for different annealing temperatures using the molecular dynamics method. The crystallinity and orientational order of the film were examined by 2D-Fourier transformation of the atomic structure. We found that the system with strong adhesion strength between substrate and Cu showed higher crystallinity and orientational order for (111) oriented Cu film.