High-throughput studies of novel magnetic materials in borides
Source abstract
Abstract
In summary, to explore boride systems’ novel magnetism and magnetic materials, we develop a workflow encompassing crystal structure analysis, high-throughput thermodynamic stability calculations, high-throughput magnetic structure calculations, and magnetic ground state analysis. Utilizing the workflow, we study three families of novel magnetic borides: dimerized quantum magnets in the YCrB4-type family, altermagnets in the FeMo2B2-type family, and magnetic MAB phases in the AlFe2B2-type family. These findings potentially enable new research in borides in areas such as spin-gap QCP, BEC of magnetic excitations, altermagnetism, next-generation spintronics, magnonics, magnetocaloric effect, and 2D magnetism. With high efficiency, the developed workflow is expected to discover more novel magnetism and magnetic materials in material families, including but not limited to borides.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Boron and Carbon Nanomaterials Research · MXene and MAX Phase Materials · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics and Astronomy, Iowa State University 1 , Ames, Iowa 50011,
Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln 2 , Lincoln, Nebraska 68588,
Ames National Laboratory, U.S. Department of Energy 3 , Ames, Iowa 50011,
Funding
U.S. Department of Energy
References (27)
Show source-provided references
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