高压拉曼光谱和晶格动力学计算对异构化MgWO4：与同晶化合物的比较
High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds
摘要：
在高达41GPa的高压下对钨酸镁进行了拉曼散射测量和晶格动力学计算。实验已经进行了选择不同的压力介质下。研究了非流体静力学对MgWO4和同晶化合物结构性质的影响。在准流体静力学条件下，在26 GPa下发现了MgWO 4的相变。高压相已被暂时分配到一个类似于CuWO4的三斜晶系结构。我们还报告和讨论的拉曼对称性，频率和压力系数在低和高压阶段。此外，不同的黑钨矿的拉曼频率进行了比较，并在整个家庭的约化质量的模式频率的变化进行了研究。最后，系统地讨论了MgWO4，MnWO4，FeWO4，CoWO4，NiWO4，ZnWO4和CdWO4的理论计算的准确性。
英文摘要：
Raman scattering measurements and lattice-dynamics calculations have been performed on magnesium tungstate under high pressure up to 41 GPa. Experiments have been carried out under a selection of different pressure-media. The influence of non-hydrostaticity on the structural properties of MgWO4 and isomorphic compounds is examined. Under quasi-hydrostatic conditions a phase transition has been found at 26 GPa in MgWO4. The high-pressure phase has been tentatively assigned to a triclinic structure similar to that of CuWO4. We also report and discuss the Raman symmetries, frequencies, and pressure coefficients in the low- and high-pressure phases. In addition, the Raman frequencies for different wolframites are compared and the variation of the mode frequency with the reduced mass across the family is investigated. Finally, the accuracy of theoretical calculations is systematically discussed for MgWO4, MnWO4, FeWO4, CoWO4, NiWO4, ZnWO4, and CdWO4.
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