Zhang Zhen, Gamage Eranga H, Amobi Genevieve, Pradhan Subhadip, Kutepov Andrey, Belashchenko Kirill D, Sun Yang, Kovnir Kirill, Antropov Vladimir
Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, United States.
Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States.
J Am Chem Soc. 2025 Aug 12. doi: 10.1021/jacs.5c07874.
Borides are a rich material family. To push the boundaries of borides' properties and applications into broader fields, we have conducted systematic theoretical and experimental searches for synthesizable phases in ternary borides B ( = 3, M = 4/5 transition metals). We find that B in the FeMoB-type and CoWB-type structures form a large family of stable/metastable materials of 120 members. Among them, we identify 40 materials with stable magnetic solutions. Further, we discover 11 altermagnets in the FeMoB-type structure. So far, boride altermagnets are rare. In these altermagnets, = Fe or Mn atoms are arranged in parallel -chains with strong ferromagnetic intrachain couplings and antiferromagnetic interchain couplings. They simultaneously exhibit electronic band spin splitting, typical of ferromagnetism, and zero net magnetization, typical of antiferromagnetism. They also exhibit magnonic band chiral splitting. Both effects originate from the unique altermagnetic symmetries crucially constrained by the nonmagnetic atoms in the structure. Transport properties of relevance to spintronic applications, including the strain-induced spin-splitter effect and anomalous Hall effect, are predicted. An iodine-assisted synthesis method for B is developed, using which 7 of the predicted low-energy phases are experimentally synthesized and characterized, including 4 altermagnets. This work expands the realm of borides by offering new opportunities for studying altermagnetism and altermagnons in borides. It also provides valuable insights into the discovery and design of altermagnets. By demonstrating that altermagnets can exist as families sharing a common motif, this work paves a feasible route for discovering altermagnets by elemental substitutions and high-throughput computations.