Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides

Abstract

Achieving room-temperature superconductivity has been an enduring scientific pursuit driven by broad fundamental interest and enticing potential applications. The recent discovery of high-pressure clathrate superhydride LaH₁₀ with superconducting critical temperatures (<i>T</i>_c) of 250-260 K made it tantalizingly close to realizing this long-sought goal. Here, we report a remarkable finding based on an advanced crystal structure search method of a new class of extremely hydrogen-rich clathrate superhydride MH₁₈ (M: rare-earth/actinide atom) stoichiometric compounds stabilized at an experimentally accessible pressure of 350 GPa. These compounds are predicted to host <i>T</i>_c up to 330 K, which is well above room temperature. The bonding and electronic properties of these MH₁₈ clathrate superhydrides closely resemble those of atomic metallic hydrogen, giving rise to the highest <i>T</i>_c hitherto found in a thermodynamically stable hydride compound. An in-depth study of these extreme superhydrides offers insights for elucidating phonon-mediated superconductivity above room temperature in hydrogen-rich and other low-Z materials.