| AVS 55th International Symposium & Exhibition | |
| Thin Film | Monday Sessions |
| Session TF-MoA |
| Session: | ALD: Functionalization and Surface Chemistry |
| Presenter: | K. Li, University of Alabama |
| Authors: | K. Li, University of Alabama N. Li, University of Alabama H.C. Turner, University of Alabama T.M. Klein, University of Alabama |
| Correspondent: | Click to Email |
An ab initio study of the reaction pathway and energetics of HfO2 deposition from tetrakisdimethylamido hafnium (TDMAH) and hafnium tert-butoxide (HTB) onto hydrogen terminated Si(111) and Si(100) is compared with ATR-FTIR experimental data between 330K and 520K. Hf-OH streching modes are evident at low temperatures for the HTB reaction while Hf-H streching modes are predominant for TDMAH chemisorbed layers. A mechanism involving silyl radicals for the later is proposed. The results are important towards understanding the limitations of atomic layer deposition during the initial growth phase. Factors influencing the interface bonding and coverage limitation will be discussed.