Superconductivity at ambient conditions is certainly one of the most awaited discoveries of our century, potentially a transformative breakthrough for modern society. Hydrides are promising materials, showing room temperature superconductivity, though only under high-pressure conditions.
By leveraging machine-learning-accelerated molecular dynamics simulations, Andrea Angeletti from the Quantum Materials Modelling group led by Cesare Franchini discovered the spontaneous formation of H₂ molecules in the LuH₃ compound, promoted by N doping, at ambient pressure. The collaboration with researchers in L'Aquila, initiated during the visit of Dr. Cesare Tresca at the ESI Institute, has unveiled the role of these molecules in stabilizing a low-temperature superconductive phase.
This work offers a fresh perspective on the role of disorder in hydrides. Despite the low critical temperature obtained in this specific compound, by demonstrating the importance of molecular hydrogen in these materials, the study opens new avenues for the realization of superconductivity at everyday conditions.
Original article: Tresca, C., Forcella, P.M., Angeletti, A. et al. Molecular hydrogen in the N-doped LuH3 system as a possible path to superconductivity. Nat Commun 15, 7283 (2024). https://doi.org/10.1038/s41467-024-51348-z
Research group Computational Materials Physics
Research team of Cesare Franchini
