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

Mohsin Raza, David Cornil, Jérôme Cornil, Stéphane Lucas, Rony Snyders, Stéphanos Konstantinidis

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)26-29
Number of pages4
JournalScripta Materialia
Volume124
DOIs
Publication statusPublished - 1 Nov 2016

Keywords

  • DFT calculations
  • Oxygen vacancy
  • Phase stabilization
  • Phase transformation
  • Zirconia (ZrO)

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