Models for ALD and MOCVD Growthof Rare Earth Oxides
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.
Keywords71.55.-i; 72.80.Sk; 73.20.At; 75.47.Lx; 77.55.+f
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