Atomistic-spin study on temperature-dependent magnetic properties of and effect of metal doping
Phys. Rev. B 114, 144401 – Published 2 September, 2026
DOI: https://doi.org/10.1103/w3f8-dvyl
Abstract
The temperature-dependent intrinsic magnetic properties of and its Fe- or Cu-doped compounds are systematically investigated via atomistic spin simulations. For pristine , Curie temperature and effective anisotropy constant at 0 K are calculated as 1000 K and , respectively, agreeing with experimental results. The domain-wall width and exchange stiffness at 0 K are determined as 3.31 nm and 39.3 pJ/m, respectively. As temperature increases, the domain wall broadens and both and decrease, with a scaling law as . For the metal-doped compounds (; ), magnetic Fe doping is found to increase through Fe-Co exchange, while nonmagnetic Cu doping decreases . Both metal dopants reduce by perturbing the Sm crystal field and Co spin-orbit coupling. Magnetic Fe doping is revealed to improve the thermal stability of the magnetic anisotropy of , while nonmagnetic Cu doping weakens it. This work could advance the understanding of permanent magnets and the impact of transition-metal doping through a comprehensive quantification of their temperature-dependent magnetic properties.