Thermodynamics and Kinetics of SiC CVD Epitaxy
In this talk, I will present our research on non-halogenated and halogenated chemistries for SiC CVD. As part of a greater effort aimed at developing multiscale simulations of ALD and CVD for predictive scale up, we are carrying out both thermodynamic and kinetic analyses of the gas phase and surface kinetics in SiC CVD epitaxy in order to identify the main sources of uncertainty. In addition to using standard sets of reactions previously compiled in the literature for SiC CVD,[2,3] we are exploring the combustion chemistry, etching, and Si CVD and PECVD literature to understand the consistency and uniqueness of the different rate coefficients, and its impact in the main predicted species in the gas phase. The goal of this work is to quantify the level of uncertainty and ultimately to improve the predictive abilities of our models as our knowledge progresses, using for instance Bayesian analysis. Likewise, we seek to identify gaps in the experimental data that will help us drive experimental research towards those reactions/pathways that have a greater weight on the synthesis processs. Finally, we will address the impact of surface chemistry on film microstructure. Besides reviewing the underlying assumptions of previous models in the literature,[2,3,4] we will explore the impact of kinetics on the roughness and the stability of step-flow growth. These could be used to establish limits on unknown heterogeneous kinetic processes based on the experimental characterization of the film microstructure and the stability of the step-flow growth as a function of the miscut angle.
 Yanguas-Gil and Elam, Simple ALD Multiscale Simulation (SALMS), ANL-SF-13-073, Argonne National Laboratory (2013).
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 Camarda et al, J. Crystal Growth 310, 971 (2008).