Ye Xu1, Atashi Mukhopadhyay2, and Charles B. Musgrave2. (1) Dept. of Materials Science and Engineering, Stanford University, 380 Roth Way, Stanford, CA 94305-5025, (2) Chemical Engineering, Stanford University, 380 Roth Way, Stanford, CA 94305-5025
We use density functional theory to investigate the chemical mechanisms and associated reaction kinetics for the atomic layer deposition of metal oxides and metal nitrides. We predict reaction kinetics for competing reactions that explain various experimental observations. Examples include the competition between reaction of water and ammonia with growing metal nitrides that leads to oxygen contamination. We also predict the competition between ligand exchange reactions and catalyzed hydrogen shuttle reactions to determine the source of N in the ALD of WN and TaN films using alkylamido precursors and ammonia.
See more of #45 - Reaction Kinetics in Electronic Materials Processing (08E04)
See more of Materials Engineering and Sciences Division
See more of The 2006 Annual Meeting