High-Temperature Superconductivity in Th-H System at Pressure Conditions

Abstract

New stable thorium decahydride $Fm\bar{3}m$-$ThH_{10}$, a record high-temperature superconductor with $T_C$ up to 241 K ($-32^{\circ}C$), critical field $H_C$ up to 71T and superconducting gap ${Δ_0}$ = 52 meV at 80-100 GPa was predicted by evolutionary algorithm USPEX. Another phase ${P2_1c}$-$ThH_7$ was found to be a high-temperature superconductor with $T_C$ of 65 K. Analysis of superconducting state was performed within Eliashberg formalism and the dependencies of $H_C(T)$, ${Δ_0}(T)$, $T_C(P)$ together with jump in the specific heat at critical temperature were calculated. Several other new thorium hydrides were predicted to be stable under pressure including $ThH_3$, $Th_3H_{10}$, $ThH_4$, $ThH_6$. Thorium (which has $s^2d^2$ electronic configuration) forms high-$T_C$ polyhydrides similar to those formed by $s^2d^1$ metals (Y-La-Ac). Thorium - is the next member in Mg-Ca-Sc-Y-La-Ac family of elements forming high-$T_C$ superconducting hydrides.