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• W4288034974 abstract "Compressed clathrate superhydrides have been the most promising candidates for room-temperature superconductors since the theory-oriented findings of ${mathrm{CaH}}_{6}, {mathrm{YH}}_{9}, {mathrm{LaH}}_{10}$ et. al., where the hydrogen clathrate framework was believed to play a critical role in improving superconductivity. Recently, a ternary superhydride of ${mathrm{Li}}_{2}{mathrm{MgH}}_{16}$ was predicted to be a ``hot'' superconductor with a theoretical ${T}_{c}$ value up to 473 K at 250 GPa, although it exhibits the metastable feature under high pressure. With the aim of seeking thermodynamically stable ternary clathrate superhydrides, by exploring the high-pressure phase diagram of the $mathrm{Li}text{--}Rtext{--}mathrm{H} (R=mathrm{Sc},mathrm{Y},phantom{rule{0.28em}{0ex}}text{and}phantom{rule{0.28em}{0ex}}mathrm{La})$ systems at 300 GPa, we identified several thermodynamically ternary superhydrides with high-temperature superconductivity. Among these predicted stable structures, as a result of extensive simulations, clathrate structured ${mathrm{Li}}_{2}{mathrm{YH}}_{17}$ and ${mathrm{Li}}_{2}{mathrm{LaH}}_{17}$ are predicted to be high-temperature superconductors with a superconducting critical temperature (${T}_{c}$) up to 108 and 156 K, at 200 and 160 GPa, respectively. Interestingly, a superhydride, $Immm$--${mathrm{Li}}_{2}{mathrm{ScH}}_{20}$, with mixed molecular and atomic hydrogen, is predicted to possess a high ${T}_{c}$ of 242 K at 300 GPa. The present results may stimulate the future experiment for the investigation of structural, electronic, and superconducting properties of metal-doped rare-earth superhydrides, which thus help the further design and discovery of superconducting clathrate superhydrides." @default.
• W4288034974 created "2022-07-27" @default.
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• W4288034974 date "2022-07-26" @default.
• W4288034974 modified "2023-10-15" @default.
• W4288034974 title "High-temperature superconducting ternary <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mi>Li</mml:mi><mml:mtext>−</mml:mtext><mml:mi>R</mml:mi><mml:mtext>−</mml:mtext><mml:mi mathvariant=normal>H</mml:mi></mml:math> superhydrides at high pressures <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mo>(</mml:mo><mml:mi>R</mml:mi><mml:mo>=</mml:mo><mml:mi>Sc</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant=normal>Y</mml:mi><mml:mo>,</mml:mo><mml:mi>La</mml:mi><mml:mo…" @default.
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• W4288034974 doi "https://doi.org/10.1103/physrevb.106.024519" @default.
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