Abstract
Atomic layer deposition (ALD) and metal organic chemical vapour deposition (MOCVD) are suitable techniques for the controlled deposition of high-quality oxide films. Increasingly, modelling is being used to complement deposition experiments, and a brief overview of modelling approaches is presented here. The main focus is on atomic-scale models using ab initio electronic structure theory to investigate the reaction steps involved in growth, in particular precursor adsorption and elimination of by-products. The common water-based ALD process is considered, using simulations of the ALD of alumina from trimethylaluminium and water as a specific example. In addition, analytical models of film growth are reviewed. Finally, models for gas transport within the reactor are presented, with the possibility of incorporating feature-scale and atomic-scale descriptions as well.
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Elliott, S.D. Models for ALD and MOCVD Growthof Rare Earth Oxides. In: Fanciulli, M., Scarel, G. (eds) Rare Earth Oxide Thin Films. Topics in Applied Physics, vol 106. Springer, Berlin, Heidelberg . https://doi.org/10.1007/11499893_5
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DOI: https://doi.org/10.1007/11499893_5
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