Progress Report - Modeling Mechanism and Growth Reactions for New Nanofabrication Processes. Issue 27 (21st December 2015)

• Record Type: Journal Article
• Authors: Elliott, Simon D.; Dey, Gangotri; Maimaiti, Yasheng; Ablat, Hayrensa; Filatova, Ekaterina A.; Fomengia, Glen N.
• Is Part Of: Advanced materials. Volume 28:Issue 27(2016)
• Page Start: 5367
• Page End: 5380
• Publication Date: 2015-12-21
• Subjects: nanofabrication -- atomic layer deposition -- density functional theory -- thin films -- surface reaction mechanisms; Materials -- Periodicals; Chemical vapor deposition -- Periodicals; 620.11
• DOI: 10.1002/adma.201504043
• Languages: English
• ISSNs: 0935-9648

Abstract

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.