Order–disorder transition in the Nd2−yYyZr2O7 system: Probed by X-ray diffraction and Raman spectroscopy

A series of compositions having the general formula Nd2−yYyZr2O7 have been synthesized by heating of mixtures of oxides of the components cation and characterized by X-ray diffraction and Raman spectroscopy. Rietveld analysis on the XRD data of all the compositions has been performed which revealed a decrease in lattice parameter as a function of y in the series Nd2−yYyZr2O7 (y=0.0–0.8). Subsequently, a biphasic region starts which continues for y=1.2 and 1.6. The other end member, i.e. Y2Zr2O7 is found to be defect fluorite. On the other hand, Nd3+ has been used as surrogate material for Am3+, which is a minor actinide found in spent nuclear fuel. In the pyrochlore range, the increasing trend of the x-parameter of 48f oxygen indicates the enhancement of disorder in the system. Raman spectroscopy has been employed to validate the data obtained from XRD. The involvement of 48f oxygen in disorder has also been verified by Raman spectroscopic investigation.

Graphical abstractIn Nd2−yYyZr2O7 series, the structure changes from pyrochlore to defect fluorite with increase in Y content in the series. The Raman spectra explicitly shows how the structural changes take place in the system.Figure optionsDownload full-size imageDownload as PowerPoint slide