High throughput ab initio screening for magnetic two dimensional materials

Quantum information and spintronics devices, based on searching and manipulating magnetism, open up new questions in the studies of two dimensional materials. In this talk, I will present our theoretical design on few new types of 2D ferromagnetic materials (MBene, CrSBr, K2N, and 2D MOFs). They are shown robust ferromagtism coupling, high Curie temperature (Tc), and large magnetic anisotropy energy (MAE). Many strategy have also been introduced to tailor their magnetic behavior, such as chemical functionalization, isoelectronic substitution, non-stoichiometry, strain, and metal decoration.