<b>Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition</b>

Abstract

Recent progress in the simulation of the chemistry of atomic layer deposition (ALD) is presented for technologically important materials such as alumina, silica, and copper metal. Self-limiting chemisorption of precursors onto substrates is studied using density functional theory so as to determine reaction pathways and aid process development. The main challenges for the future of ALD modeling are outlined.