The strain-driven pyrochlore to defect fluorite phase transition in rare earth sesquioxide stabilized cubic zirconias

Abstract

The relationship between the ordering characteristic of the pyrochlore structure type and that characteristic of the "defect fluorite" structure type (immediately on either side of two phase regions separating the two structure types) in a range of rare eath sesquioxide stabilized cubic zirconias is investigated via electron diffraction and imaging. Systematic structural change as a function of composition and relative size of the constituent metal ions is highlighted and a multi-q to single-q = 1/2 [111]* model proposed for the observed pyrochlore to defect fluorite phase transition. Strain introduced into the close-packed {111} metal ion planes of the defect fluorite average structure by the local cation and oxygen vacancy distribution is pointed to as the likely origin of the observed behavior.