Thermodynamic and phase-field studies of phase transitions, domain structures, and switching for Ba(ZrxTi1− x)O3 solid solutions

Yu Hui Huang, Jian Jun Wang, Tian Nan Yang, Xiao Xing Cheng, Bing Liu, Yong Jun Wu, Long Qing Chen

Research output: Contribution to journalArticle

Abstract

While extensive experimental activities have been carried out to study the phase transitions and ferroelectric properties of BaZrxTi1- xO3 solid solutions, the corresponding theoretical understanding is largely lacking due to the unavailability of thermodynamic potentials for this system. In this work, an eighth-order polynomial of thermodynamic potential for BaZrxTi1- xO3 (x≤0.3) solid solutions is established based on the existing potential coefficients of BaTiO3 and theexperimentally measured phase diagram of BaZrxTi1- xO3 solid solutions. It is then employed to predict and understand the domain structures and switching for BaZrxTi1- xO3 (x ≤0.3) single crystals using phase-field simulations. The simulated domain structures and switching are consistent with thermodynamic analysis and available experimental measurements, validating the established thermodynamic potential. It is expected that this thermodynamic potential will find wide applications to studying the phase transitions and ferroelectric properties of BaZrxTi1- xO3 (x ≤0.3) bulk and nanoscale materials.

Original languageEnglish (US)
Pages (from-to)609-615
Number of pages7
JournalActa Materialia
Volume186
DOIs
StatePublished - Mar 2020

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys

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