Spatial atomic layer deposition: Transport-reaction modeling and experimental validation of film geometry

Spatial atomic layer deposition (SALD) is a powerful thin-film deposition technique to control surfaces and interfaces at the nanoscale. To further develop SALD technology, there is need to deepen our understanding of the effects that process parameters have on the deposited film uniformity. In this study, a 3D computational model that incorporates laminar-flow fluid mechanics and transport of diluted species is developed to provide insight into the velocity streamlines and partial-pressure distributions within the process region of a close-proximity atmospheric-pressure spatial atomic layer deposition (AP-SALD) system. The outputs of this transport model are used as the inputs to a surface reaction model that simulates the self-limiting chemical reactions. These coupled models allow for prediction of the film thickness profiles as they evolve in time, based on a relative depositor/substrate motion path. Experimental validation and model parameterization are performed using a mechatronic AP-SALD system, which enable the direct comparison of the simulated and experimentally measured geometry of deposited TiO $2$ films. Characteristic features in the film geometry are identified, and the model is used to reveal their physical and chemical origins. The influence of custom motion paths on the film geometry is also experimentally and computationally investigated. In the future, this digital twin will allow for the capability to rapidly simulate and predict SALD behavior, enabling a quantitative evaluation of the manufacturing trade-offs between film quality, throughput, cost, and sustainability for close-proximity AP-SALD systems.