Models for ALD and MOCVD growth of rare earth oxides

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. © Springer-Verlag Berlin/Heidelberg 2006.