Monte Carlo Simulations Of Polycrystalline Thin Films Deposited by PVD

Thin films exhibit diverse morphologies involving cluster, facets, columnar structures, voids, and intricate grain boundary networks. Predictive models of thin film microstructure could be of great value in the design of devices, which require more exacting control of the film microstructures as the scale of the devices is reduced. We have developed a Monte Carlo model for polycrystalline thin films, which is capable of representing a wide range of conditions prevailing duing deposition. In addition, the model can simulate time and length scales approaching those in actual device fabrication lines. The model was developed primarily for application to physical vapor deposition (sputtering, ionized PCD, MBE, etc.,), but it also provides insight into deposition by other methods. We will discuss the influence of external conditions such as collimation on sputtered films for metallization of Si devices; we consider refractory materials such as Ta as well as those with higher diffusivities such as Cu and Al. The influences of energetic particles and clusters int he deposition flux are also considered. Comptuer generated movies of the simulations will illustrate several of the film growth mechanisms.