间质c掺杂对L10-FeNi中四方畸变的影响

P. Rani, J. Thakur, Ankur Taya, M. K. Kashyap
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引用次数: 2

摘要

为了通过引入四方畸变来调整L10-FeNi的磁晶各向异性(MCA),我们利用广义梯度近似(GGA)下的全势方法研究了间隙c掺杂的FeNi。我们的计算表明,FeNi的这些结构扭曲导致了1.88 MJ/m3的大MCA,代价是对饱和磁化的抑制很小。此外,计算出的地层能量也促进了FeNi:C比FeNi的结构稳定性。因此,L10-FeNi:C合金具有作为理想的无稀土永磁材料的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effect of tetragonal distortion induced by interstitial C-doping in L10-FeNi
In order to tune the magnetocrystalline anisotropy (MCA) of L10-FeNi by introducing tetragonal distortion, we have investigated FeNi with interstitial C-doping using full-potential approach within generalized gradient approximation (GGA). Our calculations foretell that these structural distortions of FeNi result in a large MCA of 1.88 MJ/m3 at the cost of small suppression in saturation magnetization. Moreover, calculated formation energy also promotes the structural stability of FeNi:C over FeNi. Hence, L10-FeNi:C alloy has the potential to act as opportune rare-earth free permanent magnetic material.
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