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Data-Driven Discovery of Unconventional Antiferromagnets
KTH, School of Engineering Sciences (SCI), Applied Physics, Light and Matter Physics. KTH, Centres, SeRC - Swedish e-Science Research Centre. State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing, China; Swedish e-Science Research Center, KTH Royal Institute of Technology, Stockholm, Sweden.ORCID iD: 0009-0005-6165-3237
Faculty of Science and Engineering, University of Nottingham Ningbo China, Ningbo, China.
KTH, School of Engineering Sciences (SCI), Applied Physics, Light and Matter Physics. KTH, Centres, SeRC - Swedish e-Science Research Centre. (Wallenberg Initiative Materials Science for Sustainability (WISE))ORCID iD: 0000-0001-7788-6127
College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing, China; Faculty of Science and Engineering, University of Nottingham Ningbo China, Ningbo, China.ORCID iD: 0000-0002-6017-7575
2026 (English)In: Advanced Science, E-ISSN 2198-3844Article in journal (Refereed) Epub ahead of print
Abstract [en]

Unconventional antiferromagnets combine zero net magnetization with spin-split electronic bands, offering a distinct, important platform for spintronics. Their discovery, however, has so far depended largely on case-by-case studies and on a limited number of compounds with experimentally resolved magnetic structures. Here, we overcome these bottlenecks by resolving magnetic ground states across a broad materials database. We narrow down 37163 magnets from the Materials Project to 189 collinear antiferromagnets by combining physics-informed prescreening high-throughput exchange calculations, and Luttinger–Tisza analysis. Among these, symmetry analysis identifies 36 altermagnets and 11 Luttinger-compensated ferrimagnets (LCFs), including 22 altermagnets and 9 LCFs that have not been reported previously. The identified unconventional antiferromagnets can support nonrelativistic spin Hall effects and doping-tunable spin transport with switchable polarization and giant anisotropy. Our framework converts broad structural databases into a curated, symmetry-classified set of experimentally testable compensated spin-split magnets, establishing a scalable route for the efficient discovery of functional antiferromagnets.

Place, publisher, year, edition, pages
Wiley , 2026.
Keywords [en]
antiferromagnetism, condensed matter physics, hall effect, magnet, magnetization, physics, spintronics
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-387154DOI: 10.1002/advs.76844ISI: 001834717300001PubMedID: 42523084Scopus ID: 2-s2.0-105046172597OAI: oai:DiVA.org:kth-387154DiVA, id: diva2:2092603
Note

QC 20260817

Available from: 2026-08-17 Created: 2026-08-17 Last updated: 2026-08-17Bibliographically approved

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Cui, QiruiDelin, Anna

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