Phase stability of hafnium oxide and zirconium oxide on silicon substrate

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 01 Aug 2007Embargo end date: 01 Aug 2007 English Publisher:Elsevier BVJournal:Scripta Materialia, volume 57, pages 201-204 (issn: 1359-6462,

Copyright policy )Funded by:NSF | ITR: Computational Tools ..., NSF | Microstructure Evolution ..., NSF | Computational and Experim... +1 projects

Authors: Shin, Dongwon; Liu, Zi-Kui;

doi: 10.1016/j.scriptamat.2007.04.011 , 10.48550/arxiv.0708.4356

arXiv: 0708.4356

Phase stability of hafnium oxide and zirconium oxide on silicon substrate

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Abstract

Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent to thin film processing were calculated. We found that the relative stability of the metal silicates with respect to their binary oxides plays a critical role in silicide formation. It was observed that both the HfO$_2$/Si and ZrO$_2$/Si interfaces are stable in a wide temperature range and silicide may form at low temperatures, partially at the HfO$_2$/Si interface.

5 pages, 3 figures

Related Organizations

Pennsylvania State University
United States

Keywords

Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences

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