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Fe-Ni-N based alloys as rare-earth free high-performance permanent magnet across α'' to L10 phase transition: A theoretical insight

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Abstract
Over the years, simultaneous enhancement of the energy density product and thermal stability of 3 d -only metals, without including heavy metals or rare-earth elements, has been a tremendous challenge in the field of permanent magnetism. In this study, we investigate the structural stability and intrinsic magnetic properties of (Fe 1 - x Ni x ) 16 N 2 ( x = 0 ?1 ) across the α to L 1 0 phase transition using the systematic density- functional theory and Monte Carlo simulations. We theoretically demonstrated an extremely large en- hancement in the uniaxial magnetic anisotropy ( K u ), up to 1.8 MJ ·m ?3 in the L 1 0 -type (Fe 0 . 5 Ni 0 . 5 ) 16 N 2 , a value roughly three times those of α -Fe 16 N 2 (0.6 MJ ·m - 3 ) and L 1 0 -FeNi (0.68 MJ ·m - 3 ). Simultaneously, it is predicted that the resulting L 1 0 -type (Fe 0 . 5 Ni 0 . 5 ) 16 N 2 phase is energeticallymore stable than the α - Fe 16 N 2 phase. Further calculations reveal that in L 1 0 -type (Fe 0 . 5 Ni 0 . 5 ) 16 N 2 , K u can increase up to nearly 3.9 MJ ·m - 3 with additional interstitial N atoms. In conclusion, we predict that the Fe 16 N 2 -based compounds can be effectively used as efficient rare-earth free permanent magnets by simultaneously enhancing their structural stability and energy product (BH) max .
Author(s)
D. Tuvshin투무르바타르 체베르마홍순철Dorj Odkhuu
Issued Date
2021
Type
Article
Keyword
Permanent magnetFe16N2FeNiRare-earth freeMagnetic AnisotropyFirst-principles Calculation
DOI
10.1016/j.actamat.2021.116807
URI
https://oak.ulsan.ac.kr/handle/2021.oak/9502
https://ulsan-primo.hosted.exlibrisgroup.com/primo-explore/fulldisplay?docid=TN_cdi_crossref_primary_10_1016_j_actamat_2021_116807&context=PC&vid=ULSAN&lang=ko_KR&search_scope=default_scope&adaptor=primo_central_multiple_fe&tab=default_tab&query=any,contains,Fe-Ni-N%20based%20alloys%20as%20rare-earth%20free%20high-performance%20permanent%20magnet%20across%20%CE%B1%27%27%20to%20L10%20phase%20transition:%20A%20theoretical%20insight&offset=0&pcAvailability=true
Publisher
ACTA MATERIALIA
Location
영국
Language
영어
ISSN
1359-6454
Citation Volume
210
Citation Number
1
Citation Start Page
1168071
Citation End Page
1168078
Appears in Collections:
Natural Science > Physics
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