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First-principles prediction of rare-earth free permanent magnet: FeNi with enhanced magnetic anisotropy and stability through interstitial boron

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Abstract
Ab initio electronic structure calculations reveal that interstitial 2p elements (B, C, and N) have dramatic effects on the structural stability and intrinsic magnetic properties of L10-phase FeNi. Among the 3 possible interstitial impurities, only the B improves the L10-phase stability of FeNi and enhances its uniaxial magnetic anisotropy (0.7 MJ m?3) up to 2.6 MJ m?3. The underlying mechanism is elucidated in terms of single-particle energy spectra analyses along with atom- and orbital-resolved magnetocrystalline anisotropy energy, where both the Fe and Ni 3d level changes induced by charge rearrangement and 2p-3d hybridization are responsible. These findings point toward feasibility of enhancing the structural stability and energy product of 3d-only magnetic metals through the interstitial doping with 2p nonmetal elements.
Author(s)
D. TuvshinT. Ochirkhuyag홍순철Dorj Odkhuu
Issued Date
2021
Type
Article
Keyword
Permanent magnetFeNiRare-earth freeMagnetic AnisotropyFirst-principles Calculation
DOI
10.1063/9.0000127
URI
https://oak.ulsan.ac.kr/handle/2021.oak/9497
https://ulsan-primo.hosted.exlibrisgroup.com/primo-explore/fulldisplay?docid=TN_cdi_doaj_primary_oai_doaj_org_article_9febb26cdda84bf6a2e59ea7ec6d59de&context=PC&vid=ULSAN&lang=ko_KR&search_scope=default_scope&adaptor=primo_central_multiple_fe&tab=default_tab&query=any,contains,First-principles%20prediction%20of%20rare-earth%20free%20permanent%20magnet:%20FeNi%20with%20enhanced%20magnetic%20anisotropy%20and%20stability%20through%20interstitial%20boron&offset=0&pcAvailability=true
Publisher
AIP Advances
Location
미국
Language
영어
ISSN
2158-3226
Citation Volume
11
Citation Number
1
Citation Start Page
015138
Citation End Page
015138
Appears in Collections:
Natural Science > Physics
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