A General and Systematic Method for In-Silico Chemical Vapour Deposition

The chemical vapour deposition (CVD) process, used to produce high quality, large area thin film coatings, is in many aspects a black box, where input parameters are adjusted to control the final deposition output, but where the underlying mechanisms are largely unknown. Modelling and simulations are sometimes used to unveil these mechanisms, but surprisingly few studies on CVD modelling use a systematic approach to ensure the model is adequate for its purpose. This leads to models that are useful only for certain experimental setups, or simulations resulting in already known data. Here, we present a comprehensive method for CVD modelling that certifies robustness and correct handling in all parts. The method is demonstrated using silicon carbide (SiC) as model system, explaining several experimental observations and accurately matching measured data without tuning of the model. The method thus paves the way for a general predictive CVD modelling tool for future materials and processes.