Temperature dependence of post-sintered annealing on magnetic properties of intergranular phase in Nd-Fe-B permanent magnet

Following the finite-temperature ab initio calculation framework based on the relativistic disordered local moments [J. B. Staunton et al., Phys. Rev. Lett. 93, 257204 (2004); Phys. Rev. B 74, 144411 (2006)], we computationally demonstrate the possibility of doping-enhanced coercivity at high-temperatures, taking YCo5 as a working material in order to extract the 3d-electron part of the electronic structure of the rare-earth permanent magnets. Alkaline-earth dopants are shown to be the candidates to realize the proposed phenomenon.

The part of this work was supported by the Elements Strategy Initiative Center for Magnetic Materials (ESICMM) under the outsourcing project of the Ministry of Education, Culture, Sports, Science, and Technology, Japan.