Expanding the Portfolio of Two-Dimensional Magnetic Materials and Their Applications

Explore an extensive high-throughput screening of inorganic materials to identify novel two-dimensional (2D) monolayers in this 31-minute talk from the Workshop on "Spin-Orbit Entangled Quantum Magnetism" at the Erwin Schrödinger International Institute for Mathematics and Physics. Discover a portfolio of over 3,000 potentially exfoliable materials identified through density-functional theory simulations. Learn about the focus on magnetism, including the determination of magnetic ground states and the systematic exploration of magnetic energy landscapes using the Robust Occupation Matrix Energy Optimiser (ROMEO) workflow. Examine the potential applications of these 2D magnets, particularly in creating 2D magnet-semiconductor heterostructures with topological character controllable by external magnetic fields. Gain insights into the spin-orbit induced changes in interlayer band alignment and their dependence on magnetization direction.