UI₃: A high Curie temperature f-electron two-dimensional magnet

Based on density functional theory calculations and Monte Carlo simulations, we propose UI₃ monolayer as a candidate of f-electron two-dimensional magnet. The UI₃ monolayer has two kinds of crystal structures, which are rectangular and hexagonal, respectively. Our calculations show that both of them have ferromagnetic ground state, and the hexagonal structure is more stable than the rectangular one. Notably, the hexagonal UI₃ monolayer has a 110 K Curie temperature. Furthermore, the large magnetic anisotropy, strong exchange interactions, and heavy spin-orbit couplings enable the hexagonal UI₃ monolayer to be an promising candidate material for future spintronic applications.