Influence of hydration and dopant ionic radius on the elastic properties of BaZrO3

Evgeniy Makagon, Rotraut Merkle, Joachim Maier, Igor Lubomirsky

Research output: Contribution to journalArticle

Abstract

The influence of point defects (acceptor dopants, oxygen vacancies, protonic defects) on the macroscopic elastic properties of acceptor-doped BaZrO3 ceramics is investigated. Ultrasonic pulsed echo time of flight measurements are used to study the impact of dopant size, concentration and degree of hydration. Ceramics of BaXxZr1-xO3-x/2+δH with X = Y, Sc and 0.05 ≤ x ≤ 0.2 were prepared by solid state reactive sintering with NiO sintering aid, added to achieve mechanical robustness sufficient for high-degree (58–71%) hydration without disintegration. Introduction of the dopants causes linear decrease in the Young's and shear moduli. By comparing the rate of decrease upon doping with Y3+ and Sc3+, the contribution of the lattice expansion was separated from the contribution of vacancy formation. Dissociative water incorporation also decreases the elastic moduli, however, for the case of Sc-doping the effect of hydration on the elastic moduli is much larger. All experimental data agree well with predictions by ab initio calculations.

Original languageEnglish
Article number115130
JournalSolid State Ionics
Volume344
DOIs
Publication statusPublished - Jan 2020

Keywords

  • Acceptor doped BaZrO
  • Elastic moduli
  • Hydration
  • Perovskites
  • Point defects
  • Proton-conducting oxides

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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