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High-pressure Raman and infrared study of ZrV_2O_7

机译:ZrV_2O_7的高压拉曼和红外研究

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摘要

The room-temperature Raman and infrared spectra of zirconium vanadate (ZrV_2O_7) were observed up to pressures of 12 GPa and 5.7 GPa, respectively. The frequencies of the optically active modes at ambient pressure were calculated using direct methods and compared with experimental values. Average mode Griineisen parameters were calculated for the Raman and infrared active modes. Changes in the spectra under pressure indicate a phase transition at ~ 1.6 GPa, which is consistent with the previously observed a (cubic) to β (pseudo-tetragonal) phase transition, and changes in the spectra at ~4 GPa are consistent with an irreversible transformation to an amorphous structure.
机译:分别在高达12 GPa和5.7 GPa的压力下观察到钒酸锆(ZrV_2O_7)的室温拉曼光谱和红外光谱。使用直接方法计算在环境压力下的光学活性模式的频率,并将其与实验值进行比较。计算了拉曼和红外主动模式的平均模式Griineisen参数。压力下的光谱变化表明在〜1.6 GPa处有一个相变,这与以前观察到的(立方)到β(伪四边形)的相变是一致的,而在〜4 GPa处的光谱变化与不可逆一致。转变为非晶结构。

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