Anisotropy of Doped Transition-Metal Magnets
نویسندگان
چکیده
Calculations of the magnetocrystalline anisotropy are used to evaluate prospects for new lanthanide-free permanent magnets. Based on the requirement of transition-metal-rich phases, we investigate interstitial impurities in tetragonally distorted bcc Fe and sub stitutional impurities in hcp Co, and compare doped bulk materials with nanostructures, especially with elemental 3d and YCo5 nanoparticles. Ab-initio simu lations yield the dopants’ net magnetization and second-order anisotropy con tributions, and calculated uniaxial anisotropy constants per unit fraction of impurity atoms are 7.7 MJ/m3 (C in Fe), 3.9 MJ/m3 (N in Fe) and 11.8 MJ/m3 (Pd in Co). The examples of transition-metal and YCo5 nanoparticles show that nanostructuring has a pronounced and diffi cult-to-predict effect on the anisotropy.
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