Abstract
High-pressure Raman and mid-infrared spectroscopic studies were carried out on ZrP 2O 7 to 23.2 and 13 GPa respectively. In the pressure range 0.7–4.3 GPa the lattice mode at 248 cm −1 disappears, new modes appear around 380 and 1111 cm −1 and the strong symmetric stretching mode at 476 cm −1 softens, possibly indicating a subtle phase transition. Above 8 GPa all the modes broaden, and all of the Raman modes disappear beyond 18 GPa. On decompression from the highest pressure, 23.2, to 0 GPa all of the modes reappear but with larger full width at half maximum. Lattice dynamics of the high temperature phase of ZrP 2O 7 were studied using first principles method and compared with experimental values.
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