Discovery of pressure‐induced monoclinic to monoclinic phase transition above 60 GPa in single crystal NaAlSi2O6 jadeite,Journal of Raman Spectroscopy

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Discovery of pressure‐induced monoclinic to monoclinic phase transition above 60 GPa in single crystal NaAlSi2O6 jadeite
Journal of Raman Spectroscopy ( IF 2.4 ) Pub Date : 2020-01-23 , DOI: 10.1002/jrs.5837
Ge Fei ₁ , Jingyan Song ₁ , Xin Chen ₁ , Xiaobing Liu ₁

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As one typical aluminum‐ and sodium‐bearing silicate mineral in the crust, the high‐pressure behaviors of NaAlSi₂O₆ jadeite are always of interest for investigation. However, the phase transition of jadeite at lower mantle remains elusive; thus, further static compression experiments and systematic theoretical calculations are highly needed. Here, we report a new monoclinic to monoclinic phase transition of jadeite with a volume collapse of 3.17% at around 68 GPa by in situ Raman experiments and first‐principles calculations at high pressures. Such transition leads to the increase of coordination numbers of Si from four‐ to five‐fold coordination, because of Bader charge transfer between Si─O and Al─O bonds. The physical mechanism behind this transition provides important value to understand the minerals in the lower mantle.

中文翻译：

在单晶NaAlSi2O6翡翠中发现压力诱发的单斜晶向单斜晶相转变超过60 GPa

作为地壳中一种典型的含铝和含钠硅酸盐矿物，NaAlSi ₂ O _6的高压行为翡翠一直是人们研究的热点。然而，下地幔中的翡翠的相变仍然难以捉摸。因此，迫切需要进一步的静态压缩实验和系统的理论计算。在这里，我们通过原位拉曼实验和在高压下的第一性原理计算，报道了一个新的单斜相到单斜相的翡翠，其体积塌陷在3.1 GPa时约为3.17％。由于Si-O和Al-O键之间的巴德电荷转移，这种转变导致Si的配位数从四到五倍增加。这一转变背后的物理机制为了解下地幔中的矿物提供了重要价值。

更新日期：2020-01-23

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