Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5361054 | Applied Surface Science | 2008 | 7 Pages |
Abstract
The surface reactions in atomic layer deposition (ALD) of HfO2, ZrO2 and Al2O3 on hydroxylated and sulfur-passivated GaAs surfaces are compared by using density functional theory. The HfCl4 and ZrCl4 half-reactions show large similarities in energetics and geometrical structure. However, both of them show large discrepancies with the Al(CH3)3 (TMA) half-reaction. Calculations find that it is more energetically favorable for the Al2O3 deposition than the HfO2 and ZrO2 deposition at the initial ALD stage. In addition, calculations find that although the GaAs passivation with sulfur helps to improve the interfacial properties, it is both kinetically and thermodynamically less favorable.
Related Topics
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Authors
Jie Ren, Guangfen Zhou, Yongqi Hu, Haichao Jiang, David Wei Zhang,