Potential high- <i> T <sub>c</sub> </i> superconducting lanthanum and yttrium hydrides at high pressure

  • Hanyu Liu
    Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015;
  • Ivan I. Naumov
    Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015;
  • Roald Hoffmann
    Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853;
  • N. W. Ashcroft
    Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, NY 14853;
  • Russell J. Hemley
    Department of Civil and Environmental Engineering, The George Washington University, Washington, DC 20052;

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<jats:title>Significance</jats:title> <jats:p>Theoretical predictions and subsequent experimental observations of high-temperature superconductivity in dense hydrogen-rich compounds have reinvigorated the field of superconductivity. A systematic computational study of the hydrides of lanthanum and yttrium over a wide composition range reveals hydrogen-rich structures with intriguing electronic properties under pressure. Electron–phonon coupling calculations predict the existence of new superconducting phases, some exhibiting superconductivity in the range of room temperature. Moreover, the calculated stabilities indicate the materials could be synthesized at pressures that are currently accessible in the laboratory. The results open the prospect for the design, synthesis, and recovery of new high-temperature superconductors with potential practical applications.</jats:p>

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