超导电性
镧
非谐性
金属氢
氢化物
氢
物理
材料科学
相(物质)
Atom(片上系统)
金属
凝聚态物理
原子物理学
结晶学
化学
核物理学
量子力学
冶金
嵌入式系统
计算机科学
作者
Hanyu Liu,Ivan I. Naumov,Zachary M. Geballe,Maddury S. Somayazulu,John S. Tse,Russell J. Hemley
出处
期刊:Physical review
[American Physical Society]
日期:2018-09-26
卷期号:98 (10)
被引量:133
标识
DOI:10.1103/physrevb.98.100102
摘要
Recent computational studies have predicted that rare-earth superhydrides are promising high-temperature superconductors. Of these phases having very high hydrogen content ($\mathrm{X}{\mathrm{H}}_{n},n>6$, where X is the rare-earth atom) a cubic phase of lanthanum hydride, recently synthesized at 170 GPa and identified as $\mathrm{La}{{\mathrm{H}}_{10}}_{\ifmmode\pm\else\textpm\fi{}x}$, is in good agreement with theoretical predictions. The experiments found that the stability of the phase extended to lower pressure and a distorted form was found on decompression. Here we examine the nuclear quantum effects and anharmonic dynamics on $\mathrm{La}{\mathrm{H}}_{10}$, including the behavior of the hydrogen sublattice in comparison with the predicted atomic metallic hydrogen at higher pressure. We also examine the vibrational dynamics and electronic properties of a distorted lower pressure phase of $\mathrm{La}{\mathrm{H}}_{10}$ and find that superconducting ${T}_{c}$ decreases relative to cubic but remains relatively high (i.e., 229--245 K).
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