Size disorder: A descriptor for predicting the single- or dual-phase formation in multi-component rare earth zirconates

Abstract

Eighteen different 5-component equimolar rare earth zirconates were successfully synthesized by solid state reaction method. Among them, 5 of them exhibit a high-entropy fluorite structure, 8 have a high-entropy pyrochlore structure, and the remaining 5 have dual-phase structures of both pyrochlore and fluorite. For high-entropy rare earth zirconates with single-phase structure, the lattice parameter is almost linearly correlated with the average cation radius ratio. In combination with a large number of previous reports, a summary is made to study the synergistic effects of the average cation radius ratio, configuration entropy and size disorder on the single-phase formation ability of multi-component rare earth zirconates. The conclusion verifies that the size disorder of about 5% is the boundary for the multi-component rare earth zirconates to form a single-phase or dual-phase region, while the average cation radius ratio of 1.467 is the demarcation between a pyrochlore and a defective fluorite structure in the single-phase zone, and the configuration entropy had less effect. Excessive size disorder leads to the enrichment or barrenness of certain components, which is the main reason for the formation of dual phase ceramics. • 18 Different equimolar 5-component rare earth zirconates have been prepared. • The size disorder ( δ *) can predict the single-phase formation ability of zirconates. • δ * = 5% is the boundary between the single- and dual-phase rare earth zirconates. • The single-phase forming ability of rare-earth zirconates is independent of entropy.