Journal
PHYSICAL REVIEW LETTERS
Volume 103, Issue 7, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.103.077002
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Funding
- Swedish Foundation for International Cooperation in Research and Higher Education (STINT)
- Swedish Research Council
- Futura Foundation
- Goran Gustafsson Stiftelse
- Wenner-Gren Stiftelserna
- Swedish National Infrastructure for Computing (SNIC)
- Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX)
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Metallization in pure hydrogen has been proposed to give rise to high-temperature superconductivity at pressures which still lie beyond the reach of contemporary experimental techniques. Hydrogen-dense materials offer an opportunity to study related phenomena at experimentally achievable pressures. Here we report the prediction of high-temperature superconductivity in yttrium hydride (YH3), with a T-c of 40 K at 17.7 GPa, the lowest reported pressure for hydrogen-dense materials to date. Specifically, we find that the face-centered cubic structure of YH3 exhibits superconductivity of different origins in two pressure regions. The evolution of T-c with pressure follows the corresponding change of s-d hybridization between H and Y, due to an enhancement of the electron-phonon coupling by a matching of the energy level from Y-H vibrations with the peak of the s electrons from the octahedrally coordinated hydrogen atoms.
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