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Pressure-stabilized superconductive yttrium hydrides.

Yinwei Li1, Jian Hao2, Hanyu Liu3

  • 11] School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116, China [2] State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China [3] Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, S7N 5E2, Canada.

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Researchers discovered two new yttrium hydrides, YH4 and YH6, exhibiting high-temperature superconductivity. These compounds show potential for transition temperatures up to 264 K, significantly exceeding previous predictions for yttrium hydrides.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid-State Chemistry

Background:

  • The quest for high-temperature superconductors often involves hydrogen-rich compounds.
  • Previous research explored materials like SiH4(H2)2, CaH6, and KH6 for superconductivity.

Purpose of the Study:

  • To systematically investigate yttrium hydrides at varying hydrogen concentrations.
  • To predict novel stable yttrium hydride structures and their superconducting properties.

Main Methods:

  • Utilized a structure prediction method based on particle swarm optimization.
  • Performed electron-phonon calculations to assess superconductivity.

Main Results:

  • Predicted two new stable yttrium hydrides: YH4 and YH6, stable above 110 GPa.
  • Observed distinct hydrogen configurations: monatomic H in YH3, monatomic H + molecular H2 in YH4, and hexagonal H6 units in YH6.
  • Calculated superconducting transition temperatures (Tc) of 84–95 K for YH4 and 251–264 K for YH6 at 120 GPa.

Conclusions:

  • YH4 and YH6 demonstrate significant potential as high-temperature superconductors.
  • The predicted Tc values for YH4 and YH6 are substantially higher than the 40 K limit in YH3.
  • The unique sodalite-like cage structure of hydrogen in YH6 is noteworthy.