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We present a recently developed method for modeling ionized physical vapor deposition. Using molecular dynamics techniques we examine the surface adsorption, reflection and sputter reactions taking place during ionized physical vapor deposition. We predict their relative probabilities and combine the information obtained from molecular dynamics into a transport model incorporating all effects of re-emission and re-sputtering. This provides a complete growth rate model that allows the inclusion of energy and angular dependent surface reaction rates. As an example, the method is applied to growth of an aluminum film under different deposition conditions.
Surfaces with artificial roughness were generated by deposition of nanoparticles on single crystalline substrates. Nanoparticles with an average size ≈ 15 nm were produced by inert gas condensation and deposited in situ on the substrate mounted inside a modified ultra high vacuum (UHV) transmission electron microscope (TEM). We have investigated the smoothing behavior on annealing based on the difference in surface energies between cluster and substrate and their heat of mixing. The cluster substrate combination Co/Cu(100) was chosen as a model system in which the cluster has a significantly higher surface energy than the substrate. Upon deposition at 600 K, the clusters do not remain on the surface, but rather burrow into the substrate. This is confirmed by a detailed strain analysis of the particles. Nanoparticles in the system Ge/Si(100) in contrast have a lower surface energy than the substrate and are completely miscible. The particles assume the substrate orientation around 700 K. At 900 K coherent islands form which are arranged in clusters of 4 in the form of a square. The reason for this previously unobserved pattern is not yet understood.
We present a simulation study of the long range diffusion behavior of impinging atoms during ionized physical vapor deposition conditions with focus on grazing angles of incidence and kinetic energies in the range of 35 eV to 50 eV. Two different types of long range diffusion processes are observed and investigated: (1) diffusion of atoms ultimately adsorbing and (2) diffusion of atoms that eventually desorb. The simulations reveal that the second case is particularly pronounced for grazing angles and high kinetic energies, since the adsorption probability is very low under those conditions. In a further step, information about diffusion lengths is incorporated into a previously developed level set profile simulator to predict thin film topologies. These feature scale simulations show that long-range diffusion diminishes “macroscopic” grooving.