论文标题
27 GPA的氢化氢的合成$ _ {1.3} $
Synthesis of technetium hydride TcH$_{1.3}$ at 27 GPa
论文作者
论文摘要
在这项工作中，我们使用Synchrotron X射线衍射，反射率光谱和从头开始计算，在高达45 GPA的压力下合成并研究了较低的氢化物。在TC-H系统中，TCH $ _X $阶段中的氢含量在压力上升时会增加，在27 GPA时，我们发现了新的Hexagonal（HCP）非六氢氢化氢氢化氢盐hydride TCH $ _ {1.3} $。在TCH $ _X $样品的反射光谱中，在45 GPA合成的TCH $ _X $样品的反射光谱中，新的反射带的出现在450-600 nm处的出现也证实了Technetium Hydride的形成。根据理论分析，我们提出了TCH $ _ {0.45 \ pm 0.05} $（tc $ _ {16} $ _7 $）和TCH $ _ {0.75 \ pm 0.05} $（TC $ _4 $ _4 $ _3 $ _3 $ _3 $ _3 $）的晶体结构。电子 - phonon相互作用的计算表明，由于低电子相互作用参数（$λ\ sim 0.23 $），氢化物TCH $ _ {1+X} $不具有超导性能。
In this work, we synthesize and investigate lower technetium hydrides at pressures up to 45 GPa using the synchrotron X-ray diffraction, reflectance spectroscopy, and ab initio calculations. In the Tc-H system, the hydrogen content in TcH$_x$ phases increases when the pressure rises, and at 27 GPa we found a new hexagonal (hcp) nonstoichiometric hydride TcH$_{1.3}$. The formation of technetium hydrides is also confirmed by the emergence of a new reflective band at 450-600 nm in the reflectance spectra of TcH$_x$ samples synthesized at 45 GPa. On the basis of the theoretical analysis, we proposed crystal structures for the TcH$_{0.45 \pm 0.05}$ (Tc$_{16}$H$_7$) and TcH$_{0.75 \pm 0.05}$ (Tc$_4$H$_3$) phases previously obtained at 1-2 GPa. The calculations of the electron-phonon interaction show that technetium hydrides TcH$_{1+x}$ do not possess superconducting properties due to the low electron-phonon interaction parameter ($λ\sim 0.23$).
