Finite Element Modeling of Grain Aspect Ratio and Strain Energy Density in a Textured Copper Thin Film

We have modeled the effects of grain aspect ratio on strain energy density in (100)-oriented grains in a (111)-textured Cu film on a Si substrate. Minimization of surface energy, interface energy, and strain energy density (SED) drives preferential growth of grains of certain crystallographic orientations in thin films. Under conditions in which the SED driving force exceeds the surface- and interface-energy driving forces, Cu films develop abnormally large (100) oriented grains during annealing. In the elastic regime the SED differences between the (100) grains and the film average arise from elastic anisotropy. Previous analyses indicate that several factors (e.g. elimination of grain boundaries during grain growth) may alter the magnitude of the SED driving force. We demonstrate, using finite element modeling of a single columnar (100) grain in a (111) film, that changes in grain aspect ratio can significantly affect the SED driving force. A minimum SED driving force is found for (100) Cu grains with diameters on the order of the film thickness. In the absence of other stagnation mechanisms, such behavior could cause small grains to grow abnormally and then stagnate while large grains continue to grow. This would lead to a bimodal grain size distribution in the (100) grains preferred by the SED minimization.