Overall reaction mechanism for a full atomic layer deposition cycle of W films on TiN surfaces: first-principles study.

ABSTRACT: We investigated the overall ALD reaction mechanism for W deposition on TiN surfaces based on DFT calculation as well as the detailed dissociative reactions of WF₆. Our calculated results suggest that the overall reactions of the WF₆ on the B-covered TiN surfaces are energetically much more favorable than the one on the TiN surfaces, which means that the high reactivity of WF₆ with the B-covered TiN surface is attributed to the presence of B-covered surface made by B₂H₆ molecules. As a result, an effect of the B₂H₆ flow serves as a catalyst to decompose WF₆ molecules. Two additional reaction processes right after WF₆ bond dissociation, such as W substitution and BF₃ desorption, were

SUBMITTER: Park H 

PROVIDER: S-EPMC9090620 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature