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Synthesis of bulk chromium hydrides under pressure of up to 120 GPa

机译：在高达120 GPa的压力下合成块状氢化铬

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摘要

Stable compounds in the Cr-H system have been synthesized through a direct reaction of chromium and hydrogen in a laser-heated diamond-anvil cell and investigated using synchrotron x-ray diffraction up to 120 GPa. The sequence of hydrides CrH, Cr_2H_3, and CrH_2 has been observed by increasing pressure. The known Є-hcp-CvH hydride is formed above 3 GPa. A Cr_2H_3 hydride with a C2/m structure appears spontaneously above 19 GPa, as a result of the filling of the letrahedral sites of Є-CrH. YAG laser heating helps dissolve more hydrogen inside the hcp chromium structure to synthesize a CrH_2 compound with a Pnma structure from 30 GPa on. The volume expansion per hydrogen atom in octahedral and tetrahedral sites is measured up to the 100-GPa pressure range. The formation pressures and structures of these chromium interstitial hydrides are in very good agreement with DFT calculations. However, despite multiple heating attempts up to 100 GPa, no evidence of the stability of the predicted CrH_3 compound could be found.
机译：Cr-H系统中的稳定化合物是通过铬和氢在激光加热的金刚石-铁砧池中的直接反应合成的，并使用高达120 GPa的同步加速器X射线衍射进行了研究。通过增加压力观察到氢化物CrH，Cr_2H_3和CrH_2的顺序。在3 GPa以上形成已知的α-hcp-CvH氢化物。由于填充了Є-CrH的烯丙基位点，具有C2 / m结构的Cr_2H_3氢化物自发出现在19 GPa以上。 YAG激光加热有助于在hcp铬结构内部溶解更多的氢，从而从30 GPa开始合成具有Pnma结构的CrH_2化合物。在八面体和四面体位置测量每个氢原子的体积膨胀，直至压力达到100 GPa。这些铬间隙氢化物的形成压力和结构与DFT计算非常吻合。然而，尽管多次尝试加热至100 GPa，仍未找到预测的CrH_3化合物的稳定性的证据。

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  • 来源
    《Physical review》 |2018年第18期|184103.1-184103.7|共7页
  • 作者

    Adrien Marizy; Gregory Geneste; Paul Loubeyre; Bastien Guigue; Gaston Garbarino;

  • 作者单位

    CEA, DAM, DIE, F-91297 Arpajon, France;

    CEA, DAM, DIE, F-91297 Arpajon, France;

    CEA, DAM, DIE, F-91297 Arpajon, France;

    CEA, DAM. DIE, F-91297 Arpajon, France,LPEM, ESPCI Paris, PSL Research University, CNRS, Sorbonne Universite, 75005 Paris, France;

    ESRF, The European Synchrotron, 71 Avenue des Martyrs, 38000 Grenoble, France;

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