Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session X45: Magnetic Anisotropy: Hard and Soft Materials
11:15 AM–1:51 PM,
Friday, March 6, 2020
Sponsoring Unit: GMAG
Chair: Scooter Johnson, U.S. Naval Research Laboratory
Abstract: X45.00005 : High-throughput search for rare-earth free permanent magnets*
View Presentation Abstract
We propose to apply a high-throughput approach to the search of RE free permanent magnets. Going through a large number of known structures from ICSD , and using a full-potential LMTO method with relativistic formulation as implemented in the RSPt code  to calculate magnetic anisotropy and TC, we are looking for the materials with magnetization >1 T, uniaxial anisotropy >1 MJ/m3, and Tc>300 K to identify the suitable replacement for rare-earth containing materials.
Starting with the materials containing 3d+5d+1 extra elements of the periodic table to test the method, we have found several candidates that have characteristics suitable for a good permanent magnet, such as Pt2FeCu, Pt2FeNi, W2FeB2, etc. Based on the search result we have also proposed two new materials, not existing in ISCD -Pt2FeCo and Pt2CoNi .
 John M.Willset al.,arXiv:cond-mat/9912173 (1999)
 Alena Vishina et al., arXiv:1910.00548 [cond-mat.mtrl-sci]
*We acknowledge financial support of the SSF and SNIC for the computation resources.
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