Structural properties of Ta₂O₅ deposited films using atomistic modeling

The previously developed method of atomistic modeling of physical vapor deposition is applied to study the structural properties of T a ₂ O ₅ films. For the first time, to the best of our knowledge, the structural parameters of these films are calculated using atomistic clusters with technologically significant dimensions. It is found that low-energy deposition results in the formation of a low-density transition region between the substrate and the films. High-energy deposition results in the growth of a homogeneous structure without pores with a characteristic size of more than 0.1 nm. The density of low- and high-energy deposited films is lower than the density of the bulk amorphous sample. Reducing the deposition energy results in the formation of pores that can adsorb small molecules. The average coordination numbers of Ta and O atoms remain practically constant with decreasing deposition energy.