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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >High-pressure experimental study on Rb_2S: Antifluorite to Ni_2In-type phase transitions
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High-pressure experimental study on Rb_2S: Antifluorite to Ni_2In-type phase transitions

机译：Rb_2S的高压实验研究：萤石到Ni_2In型相变

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摘要

The high-pressure behaviour of dirubidium sulfide, Rb2S, with antifluorite-type structure under room conditions (space group) has been studied up to 8 GPa at room temperature using angle-dispersive X-ray powder diffraction in a diamond-anvil cell (DAC). X-ray measurements have allowed us to completely characterize two phase transitions upon compression: (i) to an anticotunnite-type structure (Pnma) at some pressure between 1 bar and 0.7 GPa, and (ii) to a Ni2In-type structure (P63/mmc) at 2.6 GPa. A gradual transition from the Pnma to the P63/mmc structures seems to occur between 2.6 and 4.5 GPa. These results are in excellent agreement with previous theoretical predictions. Strong luminescence is observed above 2.6 GPa (band maximum at 703 nm) when the transition to the Ni2In-type phase starts to occur, the band maximum showing a non-linear blue shift with pressure. The observed sequence of phase transitions in Rb2S is discussed in relation to the high-pressure structural behaviour of isomorphic sulfides and the structures are compared with the cationic arrays of their corresponding oxides (e.g. rubidium sulfate, in which the sulfide has been oxidized).
机译：在室温下使用空间色散X射线粉末衍射在金刚石-铁砧单元（DAC）中研究了室温下（空间群）具有抗萤石型结构的硫化room Rb2S在高压下的高压行为（空间群） ）。 X射线测量使我们能够完全表征压缩时的两个相变：（i）在1 bar和0.7 GPa之间的某个压力下变为抗anti石型结构（Pnma），以及（ii）变为Ni2In型结构（P63 / mmc）在2.6 GPa。从Pnma结构逐渐过渡到P63 / mmc结构似乎发生在2.6至4.5 GPa之间。这些结果与以前的理论预测非常吻合。当开始发生向Ni2In型相的跃迁时，在2.6 GPa以上（在703 nm处的最大能带）观察到强发光，该能带最大值显示出随压力的非线性蓝移。关于同构硫化物的高压结构行为，讨论了Rb2S中观察到的相变顺序，并将结构与其相应氧化物（例如，硫化rub已被氧化的硫酸rub）的阳离子阵列进行了比较。

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