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Quartz metastability at high pressure: what new can we learn from polarized Raman spectroscopy?
Physics and Chemistry of Minerals ( IF 1.2 ) Pub Date : 2020-07-18 , DOI: 10.1007/s00269-020-01100-y
Marta Morana , Boriana Mihailova , Ross J. Angel , Matteo Alvaro

The pressure dependence of the polarized Raman scattering of quartz was studied under hydrostatic conditions up to 9 GPa. We extended the available pressure calibrations, usually limited to the two most intense peaks, to a larger number of modes, providing polynomial functions that describe the relationship between pressure P and wavenumber shift Δω\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\Delta \omega$$\end{document} for the 128-, 206-, 265-, 464-, 696-, 809-, 1080- and 1161-cm-1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\hbox {cm}^{-1}$$\end{document} modes. For the first time, the pressure behavior of the LO-TO splitting is characterized up to 9 GPa under hydrostatic conditions. The pressure-induced wavenumber changes and derived phonon compressibilities show that longitudinal and transverse modes can be used interchangeably for the calculation of strains through the Grüneisen tensor to derive the strains in crystals, such as mineral inclusions, under non-hydrostatic conditions. A careful examination of the linewidths as a function of pressure shows that they are sensitive to the metastability of the quartz structure with respect to the high-pressure silica polymorphs. It is proposed that strong multiphonon interactions contribute to the stability of the structure of quartz at ambient conditions.

中文翻译:

高压下的石英亚稳态:我们可以从偏振拉曼光谱中学到什么新东西?

在高达 9 GPa 的静水压条件下研究了石英偏振拉曼散射的压力依赖性。我们将可用的压力校准(通常仅限于两个最强烈的峰值)扩展到更多的模式,提供描述压力 P 和波数位移 Δω\documentclass[12pt]{minimal}\usepackage{amsmath} 之间关系的多项式函数\usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\Delta \ omega$$\end{document} 为 128-, 206-, 265-, 464-, 696-, 809-, 1080- 和 1161-cm-1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek } \setlength{\oddsidemargin}{-69pt} \begin{document}$$\hbox {cm}^{-1}$$\end{document} 模式。在流体静力条件下,LO-TO 分裂的压力行为首次表征为高达 9 GPa。压力引起的波数变化和导出的声子压缩率表明,纵向和横向模式可以互换使用,用于通过 Grüneisen 张量计算应变,以在非流体静力条件下导出晶体(如矿物包裹体)中的应变。仔细检查作为压力函数的线宽表明,它们对石英结构相对于高压二氧化硅多晶型物的亚稳定性很敏感。提出强多声子相互作用有助于石英结构在环境条件下的稳定性。
更新日期:2020-07-18
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