Journal
PHYSICAL REVIEW B
Volume 106, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.106.035150
Keywords
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Funding
- National Natural Science Foundation of China [11974395, 12188101]
- Strategic Priority Research Program of Chinese Academy of Sciences [XDB33000000]
- China Postdoctoral Science Foundation [2021M703461]
- Center for Materials Genome
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The study of magnetic topological materials is of great interest for realizing novel topological phases and pursuing potential applications in low-energy consumption spintronics. In this research, starting from the theory of nonmagnetic topological quantum chemistry, the researchers obtained irreducible (co)representations and compatibility relations in momentum space and constructed a complete list of magnetic band (co)representations in real space. They also developed symmetry indicators (SIs) to diagnose topological magnetic materials and identified numerous magnetic topological candidates through spin-polarized calculations.
To realize novel topological phases and to pursue potential applications in low-energy consumption spintron-ics, the study of magnetic topological materials is of great interest. Starting from the theory of nonmagnetic topological quantum chemistry [Bradlyn et al., Nature 547, 298 (2017)], we have obtained irreducible (co)representations and compatibility relations (CRs) in momentum space, and we constructed a complete list of magnetic band (co)representations (MBRs) in real space for other magnetic space groups (MSGs) with antiunitary symmetries (i.e.,type-III and type-IV MSGs). The results are consistent with the magnetic topological quantum chemistry [Elcoro et al., Nat. Commun. 12, 5965 (2021)]. Using the CRs and MBRs, we reproduce the symmetry-based classifications for MSGs, and we obtain a set of Fu-Kane-like formulas of symmetry indicators (SIs) in both spinless (bosonic) and spinful (fermionic) systems, which are implemented in an automatic code-TOPMAT-to diagnose topological magnetic materials. The magnetic topological materials, whose occupied states cannot be decomposed into a sum of MBRs, are consistent with nonzero SIs. Lastly, using our online code, we have performed spin-polarized calculations for magnetic compounds in the materials database, and we find many magnetic topological candidates.
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