Order–disorder transition in Nd2−yGdyZr2O7 pyrochlore solid solution: An X-ray diffraction and Raman spectroscopic study

Powder X-ray diffraction (XRD) and Raman spectroscopic study of order–disorder-phase transition with increase in the content of Gd in Nd2−yGdyZr2O7 solid solution is being reported. It has been observed from Rietveld analysis that with increase in concentration of Gd in Nd2−yGdyZr2O7, the value of the x parameter of the 48f oxygen changes from 0.332(1) to 0.343(1) with a sudden change in the slope for y=1.8, which indicates that the structure is transforming from ordered pyrochlore to disordered pyrochlore. In addition to that a sudden and drastic change in the Raman spectra including changes in the position and width of several Raman modes beyond y⩾1.8 has also been observed which has been correlated with increasing disorder. Based on these studies, it is suggested that there is a discontinuous order–disorder transition from ‘perfect pyrochlore’ to ‘defect pyrochlore’ phase in Nd2−yGdyZr2O7 solid solution.

Raman spectra of Nd2−yGdyZr2O7 with increasing proportion of Gd in Nd2−yGdyZr2O7 series. A transition from ordered pyrochlore to disordered pyrochlore can be seen at y≈1.8.Figure optionsDownload as PowerPoint slide