High-throughput screening assisted discovery of a stable two-dimensional cobalt structure

The search for room-temperature ferromagnetic two-dimensional materials is crucial for the development of future functional spintronic devices. In this study, combining a global minimum search method of the free energy surfaces by the CALYPSO software, we have predicted a two-dimensional cobalt structure. First-principles calculations demonstrate that the structure is a stable ferromagnetic metal exhibiting in-plane magnetic anisotropy, with an estimated Curie temperature of 1001 K significantly exceeding room temperature. Furthermore, the structure shows remarkable resistance to external strain, maintaining its ferromagnetic ground state and excellent stability under biaxial strains ranging from {-}4% to 5%. These findings indicate that the structure holds promising application prospects in spintronic devices.