Chemical Reaction Pathways for MOVPE Growth of Aluminum Nitride

Abstract

The chemical reaction pathways for metal-organic vapor phase epitaxial growth of aluminum nitride (AlN) were investigated using elementary reaction simulations and density functional theory calculations. We found that alkyl-aluminum amide (DMA-NH2), which initiates parasitic chemical reactions such as oligomerization, is one of the major reactive species involved in AlN growth. The simulation results indicated that DMA-NH2 is adsorbed on the surface, followed by the elimination of methane with no energy barrier. The results clarify the role of parasitic reactions and their products in the growth of AlN.