Abstract

We explore high-pressure phase stability and superconductivity of lanthanum hydrides LaHmLaH_m (m=4-11,16). We predict stability of a hitherto unreported polyhydride P6/mmmP6/mmm-LaH16LaH_{16} at pressures above 150 GPa; at 200 GPa its predicted superconducting TCT_C is 156 K, critical field μ0μ_0HCH_C(0) ~ 35 T and superconducting gap is up to 35 meV. We revisit superconductivity of the recently discovered LaH10LaH_{10} and find its TCT_C to be up to 259 K (170 GPa) from solving the Eliashberg equation and 271 K from solving the gap equation in SCDFT which also allowed us to compute the Coulomb pseudopotential μ∗μ^* for LaH10LaH_{10} and LaH16LaH_{16}. Presence of several polymorph modifications of LaH10 may explain the variety in the experimentally measured TCT_C values for LaH10LaH_{10} [1,2]

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