期刊
PHYSICAL REVIEW B
卷 101, 期 9, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.101.094407
关键词
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资金
- Swedish Foundation for Strategic Research
- Swedish Energy Agency
- Swedish Research Council
- Knut and Alice Wallenberg Foundation
- STandUPP
- CSC IT Centre for Science
- eSSENCE
We present an application of a high-throughput search of new rare-earth free permanent magnets focusing on 3d-5d transition metal compounds. The search involved a part of the Inorganic Crystal Structure Database, together with tailored search criteria and electronic structure calculations of magnetic properties. Our results suggest that it is possible to find candidates for rare-earth free permanent magnets using a data-mining/datafiltering approach. The most promising candidates identified here are Pt2FeNi, Pt2FeCu, and W2FeB2. We suggest these materials to be a good platform for further investigations in the search of novel rare-earth free permanent magnets.
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