Novel Strongly Correlated Europium Superhydrides
arXiv:2012.05595 · doi:10.1021/acs.jpclett.0c03331
Abstract
We conducted a joint experimental-theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86-130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic , hexagonal , and an unexpected cubic (Pm-3n) clathrate phase, . Monte Carlo simulations indicate that cubic has antiferromagnetic ordering with T(Neel) up to 24 K, whereas hexagonal and Pm-3n- possess ferromagnetic ordering with T(Curie) = 137 and 336 K, respectively. The electron-phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal . The equations of state predicted within the DFT+U approach (the Hubbard corrections were found within linear response theory) are in close agreement with the experimental data. This work shows the great influence of the atomic radius on symmetry-breaking distortions of the crystal structures of superhydrides and on their thermodynamic stability.