Defect-induced intermediate phase appearance in a single PbZrO3 crystal

The problem of intermediate phase in pure single PbZrO3 crystal, appearing below the main transformation from the paraelectric to antiferroelectric state, was investigated and analysed based on changes in the birefringence, secondary ion mass spectroscopy, and x-ray photoelectron spectroscopy. Controlled changes in stoichiometry of the crystal were achieved by thermal treatment of the crystal in ultra-high vacuum and at high temperatures, thereby creating defects in all sublattices which influence the appearance of this intermediate phase. The results obtained have allowed correlating changes in the distribution of individual elements in surface and crystal volume, as well as their concentration and their electron states, with changes in the intermediate phase temperature range. •Influence of intrinsic and extrinsic crystal defects on phase transitions in PbZrO3.•Existence of chemical inhomogeneity in surface layer of PbZrO3 single crystal.•Types and concentration of defects influence the existence of intermediate phase.