Magnetism and magnetocrystalline anisotropy of tetragonally distorted L10-FeNi: N alloy

• Published in: Journal of alloys and compounds Vol. 835; p. 155325
• Main Authors: Rani, Priti, Kashyap, Manish K., Singla, Renu, Thakur, Jyoti, Reshak, Ali H.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 15.09.2020; Elsevier BV
• Subjects: Anisotropy; DFT; Distortion; Doping; FPLAPW; Free energy; Heat of formation; Iron; Magnetic properties; Magnetic saturation; Magnetism; Magnetization; Mathematical analysis; MCA; Nickel; Permanent magnets; SOC; Structural stability; FPLAPW; Permanent magnets; MCA; DFT; Magnetization; SOC
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2020.155325

We report the tunable magnetic properties of L10-FeNi via inducing tetragonal distortion with interstitial doping. For this, we have performed full potential calculations of L10-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, L10-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. [Display omitted] •Two types of interstitial N-doping to Ni/Fe-layer of L10-FeNi have been investigated.•Permannet magnet candidature is governed by three factors; Uniaxial MCA, Large Saturation Magnetization and High (BH)max.•FeNi:N(ONi) alloy is established theoretically a promising candidate for rare earth free permanent magnets.