Anisotropy and Isotope Effect in Superconducting Solid Hydrogen.

Elucidating the phase diagram of solid hydrogen is a key objective in condensed matter physics. Several decades ago, it was proposed that at low temperatures and high pressures, solid hydrogen would be a metal with a high superconducting transition temperature. This transition to a metallic state can happen through the closing of the energy gap in the molecular solid or through a transition to an atomic solid. Recent experiments have managed to reach pressures in the range of 400-500 GPa, providing valuable insights. There is strong evidence suggesting that metallization via either of these mechanisms occurs within this pressure range. Computational and experimental studies have identified multiple promising crystal phases, but the limited accuracy of calculations and the limited capabilities of experiments prevent us from determining unequivocally the observed phase or phases. Therefore, it is crucial to investigate the superconducting properties of all the candidate phases. Recently, we reported the superconducting properties of the C2/c -24, Cmca -12, Cmca -4 and I4 1 /amd -2 phases, including anharmonic effects. Here, we report the effects of anisotropy on superconducting properties using Eliashberg theory. Then, we investigate the superconducting properties of deuterium and estimate the size of the isotope effect for each phase. We find that the isotope effect on superconductivity is diminished by anharmonicity in the C2/c -24 and Cmca -12 phases and enlarged in the Cmca -4 and I4 1 /amd -2 phases. Our anharmonic calculations of the C2/c -24 phase of deuterium agree closely with the most recent experiment by Loubeyre et al. [ Phys. Rev. Lett. 29, 035501 (2022)], indicating that the C2/c -24 phase remains the leading candidate in this pressure range, and has a strong anharmonic character. These characteristics can serve to distinguish among crystal phases in experiment. Furthermore, expanding our understanding of superconductivity in pure hydrogen holds significance in the study of high- T c hydrides.&#xD.