Stability and superconductivity of lanthanum and yttrium decahydrides
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Peer-reviewed
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Abstract
Rare-earth hydrides can exhibit high-temperature superconductivity under high pressure. Here, we apply a crystal structure prediction method to the current record-holding $T_c$ material, LaH${10}$, and a candidate for even higher $T_c$, YH${10}$. We find a pressure-induced phase transition from the experimentally observed cubic LaH${10}$ phase to a new hexagonal phase at around 420 GPa. This hexagonal phase could explain experimental observations of hcp impurities in fcc samples. We find that YH${10}$ forms similar structures to LaH$_{10}$ and discuss the sensitivity of superconductivity calculations to the computational parameters used.
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Journal Title
Physical Review B
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Journal ISSN
2469-9950
2469-9969
2469-9969
Volume Title
101
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American Physical Society (APS)
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Except where otherwised noted, this item's license is described as All rights reserved
Sponsorship
Royal Society (WM150023)
Engineering and Physical Sciences Research Council (EP/P022596/1)
EPSRC (1948652)
Engineering and Physical Sciences Research Council (EP/L015552/1)
Engineering and Physical Sciences Research Council (EP/P020259/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)
Engineering and Physical Sciences Research Council (EP/P022596/1)
EPSRC (1948652)
Engineering and Physical Sciences Research Council (EP/L015552/1)
Engineering and Physical Sciences Research Council (EP/P020259/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)