Over the last 100 years, the group-theoretic characterization of crystalline solids has provided the foundational language for diverse problems in physics and chemistry. There exist two classes of crystalline solids: nonmagnetic crystals left invariant by space groups (SGs), and solids with commensurate magnetic order that respect the symmetries of magnetic space groups (MSGs). Whereas many of the properties of the SGs, such as their momentum-space corepresentations (coreps) and elementary band coreps (EBRs) were tabulated with relative ease, progress on deriving the analogous properties of the MSGs has largely stalled for the past 70 years due to the complicated symmetries of magnetic crystals. In this work, we complete the 100-year-old problem of crystalline group theory by deriving the small coreps, momentum stars, compatibility relations, and magnetic EBRs (MEBRs) of the single (spinless) and double (spinful) MSGs. We have implemented freely-accessible tools on the Bilbao Crystallographic Server for accessing the coreps of the MSGs, whose wide-ranging applications include neutron diffraction investigations of magnetic structure, the interplay of lattice regularization and (symmetry-enhanced) fermion doubling, and magnetic topological phases, such as axion insulators and spin liquids. Using the MEBRs, we extend the earlier theory of Topological Quantum Chemistry to the MSGs to form a complete, real-space theory of band topology in magnetic and nonmagnetic crystalline solids - Magnetic Topological Quantum Chemistry (MTQC). We then use MTQC to derive the complete set of symmetry-based indicators (SIs) of band topology in all spinful (fermionic) crystals, for which we identify symmetry-respecting bulk and anomalous surface and hinge states. Lastly, using the SIs, we discover several novel non-axionic magnetic higher-order topological insulators.
- Pub Date:
- October 2020
- Condensed Matter - Mesoscale and Nanoscale Physics;
- Condensed Matter - Strongly Correlated Electrons;
- Mathematical Physics
- 8 pg main text + 181 pg appendix, 4 + 25 figures, abstract abridged for arXiv posting - see paper for full abstract, previously submitted