articlePhysical Review LettersSep 8, 2017Closed access

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

FPFeng PengYSYing SunCJChris J. PickardRJR. J. NeedsQWQiang Wu

State Key Laboratory of Superhard Materials · Luoyang Normal University · +8 more institutions

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Abstract

Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H_{24}, H_{29}, and H_{32}, in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that…

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Topics & keywords

Topics
Keywords
  • Clathrate hydrate
  • Superconductivity
  • Yttrium
  • Stoichiometry
  • Materials science
  • Hydrogen
  • Room-temperature superconductor
  • Condensed matter physics
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