High throughput search of magnetic topological materials II

It has been shown that in systems with broken time reversal symmetry, the topological crystalline classification of solids is extended. In particular, new phases of matter such as axion insulators can occur. It is still hard to identify which realistic material can host these phases since it had to be done case by case. In this work, we apply the formalism of magnetic topological quantum chemistry, which provides a connection between the symmetry properties of Bloch functions topology. We analyzed 379 experimentally reported magnetic structures and found that 176 of them present non-trivial topology for some value of the Hubbard U parameter, either topological insulators, enforced semimetals or both. We also report 43 obstructed atomic insulators, diagnosed via real space indicators. We choose 4 examplary high-quality systems to perform a more detailed analysis of its topological properties, such as axion angle, topological invariants and surface spectrum. Our results enlarge the family of experimentally reachable magnetic topological materials.