Atomistic mechanism of AlCu thin film alloy growth on trenched Si substrate

Abstract

Molecular dynamics simulation was employed to study the growth mechanisms of an AlCu thin film on a trenched Si(001) substrate. The atomic interactions between Al, Cu, and Si atoms were described by using the Modified Embedded Atom Method (MEAM). This investigation focused on examining the effect of both incident energy and trench heights on the structure, and the morphology of deposited AlCu thin film. The results reveal that the growth mode follows an island mode, and the AlCu film surface exhibits both non-flat and non-uniform texture. The increase in the trench height leads to a more pronounced change in surface morphology and roughness. However, a higher incident energy can significantly reduce the surface roughness due to the mobility of deposited atoms. In addition, a mixing region was observed at the interface between the film and substrate. It is revealed that increasing the incident energy leads to deeper penetration of Al and Cu atoms into the substrate. More importantly, Al atoms penetrate deeper than the Cu atoms. On the other hand, deposition on a trench with 15 monoatomic layers leads to the formation of voids in the film. However, these voids disappear with higher incident energy. The microstructural evolution during deposition film was also analyzed based on the radial distribution function. The results of this function indicate that changes in trench height and the energy of incident adatoms do not significantly influence the structure of the film.