Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 835, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2020.155325
Keywords
Permanent magnets; DFT; Magnetization; MCA; FPLAPW; SOC
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Funding
- Deparment of Science and Technology-Science and Engineering Research Board (DST-SERB) New Delhi, India [EMR/2016/007380]
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We report the tunable magnetic properties of L1(0)-FeNi via inducing tetragonal distortion with interstitial doping. For this, we have performed full potential calculations of L1(0)-FeNi with interstitial N-doping within generalized gradient approximation. Two types of interstitial N-doping in Ni/Fe-layer of the parent alloy have been investigated. The calculated formation energy reveals the increased structure stability of tetragonally distorted FeNi via N-doping. Our calculations predict that this structural distortion induces large magnetocrystalline anisotropy at the cost of small degradation in the saturation magnetization. The increment in magnetocrystalline anisotropy is more for N-doping in Ni-layer as compared to that in Fe-layer. Hence, L1(0)-FeNi:N alloy with N addition to Ni-layer has all the qualities to be emerged out as a probable material for permanent magnets in coming years. (C) 2020 Elsevier B.V. All rights reserved.
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