Ab-initio study of the magnetic properties of compounds based on Sm-Y-Co

C.I. ZANDALAZINI; M. I. OLIVA

Webinar

Conferencia; The IEEE Around-the-Clock Around-the-Globe (AtC-AtG) Magnetics Conference; 2022

IEEE Magnetics Society

The magnets based on the isostructural RE-TM5 compounds (RE: rare earth, TM: transition metal)are currently the best performing. Among these intermetallics, SmCo5 has the largest known uniaxial magnetocrystalline anisotropy energy (MAE) of 17.2 MJ/m3 as well as excellent magnetic performance at elevated temperatures. However, in an effort to reduce industrial costs, recent studies have focused on analyzing different doping elements that in turn maintain an efficient magnetic behavior of the compound [1], [2]. In this case, the YCo5 alloys have emerged as promising intermediate-performance hard magnet, since on the one hand, Y costs about 50% less than Sm and, on the other hand, the absence of 4f electrons in Y allows to identify the TM network contribution to the overall MAE, magnetization and Curie temperature. We present the results of density functional theory calculations on the electronic structure, local and total magnetic moments, MAE, and density of states of Sm-Y-Co5 compound.