Elsevier

Scripta Materialia

Volume 124, November 2016, Pages 26-29
Scripta Materialia

Regular Article
Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

https://doi.org/10.1016/j.scriptamat.2016.06.025Get rights and content

Abstract

Understanding the phase formation in zirconia (ZrO2) has triggered a great debate over the last couple of decades, with several mechanisms proposed so far. In the present letter, we demonstrate by well-optimized experimental measurements supported by Density Functional Theory (DFT) calculations that only O vacancies allow for the stabilization of the cubic (c) phase at room temperature. These vacancies distort the zirconia lattice, forcing the crystal to arrange itself in a high symmetric c structure.

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