Hydrogen sulfide at high pressure: Change in stoichiometry
Hydrogen sulfide at high pressure: Change in stoichiometry
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高压下的硫化氢：化学计量的变化
DOI：
10.1103/physrevb.93.174105
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发表时间：
2016-05-10
影响因子：
3.7
通讯作者：
Prakapenka, Vitali B.
中科院分区：
文献类型：
--
作者：
Goncharov, Alexander F.;Lobanov, Sergey S.;Prakapenka, Vitali B.
利用X射线同步辐射衍射和拉曼光谱研究了180-295 K、压力高达150 GPa的硫化氢（H2S）气体，并利用量子力学变组分演化模拟研究了H2S气体的演化过程。实验表明，H2S在形成不同结构和组成的化合物时变得不稳定，包括Cccm和体心立方（R3 m或Im-3 m）H3 S，后者先前预测显示出创纪录的高超导转变温度，T-c为203 K。这些实验为理解这一创纪录的高Tc提供了实验基础。实验结果得到了理论结构搜索的支持，表明H3 S，H4 S3，H5 S8，H3 S5和HS 2化合物在高压下的稳定性以前没有报道过。
Hydrogen sulfide (H2S) was studied by x-ray synchrotron diffraction and Raman spectroscopy up to 150 GPa at 180-295 K and by quantum-mechanical variable-composition evolutionary simulations. The experiments show that H2S becomes unstable with respect to formation of compounds with different structure and composition, including Cccm and a body-centered cubic like (R3m or Im-3m) H3S, the latter one predicted previously to show a record-high superconducting transition temperature, a T-c of 203 K. These experiments provide experimental ground for understanding of this record-high T-c. The experimental results are supported by theoretical structure searches that suggest the stability of H3S, H4S3, H5S8, H3S5, and HS2 compounds that have not been reported previously at elevated pressures.