Atomistic simulation for disordered rare-earth compounds SmCo7 and Sm(Co,Ti)7

Origins of the significant improvement in nanocrystalline Samarium–Cobalt’s magnetic properties when doping with Niobium

“…However, now it is possible to simulate properly the effects of disorder by using a large unit cell and distributing atoms irregularly for the ab initio calculations. Recently, Guo et al [34] constructed a large supercell system based on a 6 Â 2 Â 6 SmCo 5 unit cells, i.e. (SmCo 5 ) 72 , for first-principles calculations that used constituting inverted ab initio pair potentials [35].…”

Modeling and experimental studies of Hf-doped nanocrystalline SmCo7alloys

“…To solve this problem, we adopt the first-principles density functional theory (DFT) and combine it with experimental investigations. Although there were some reports on SmCo 7based systems using first-principles calculations, [26][27][28][29] few studies were related to phase decomposition, and little attention has been paid to the influence of doped elements on the magnetic properties. Based on our previous work, 30 here we focus our attention on the effects of the Hf element on the structure and magnetic performance of nanocrystalline SmCo 7 -based alloys.…”

Effect of B addition on the microstructure and magnetic properties of melt-spun Sm12Co60−xFe19Cu6Zr3Bx (0≤x≤3) ribbons

“…The intrinsic coercivity of 4.74-28.1 kOe at room temperature in such ribbons was obtained [10,[16][17][18] at different annealing temperatures. In addition, as SmCo 5 phase has high anisotropy field (>200 kOe) and Sm 2 Co 17 has high magnetic dipole moment (23.2 B ) [19], therefore, nanocomposite Sm-Co/Fe(Co)-based magnets composed of hard magnetic phases of Sm 2 Co 17 or SmCo 5 and soft magnetic phases of Fe or Co have gained much attention in recent years for potential applications at elevated temperature due to high magnetic energy product. Many efforts have been devoted to produce nanocomposite powders, thin films, and rapidly quenched ribbons [20][21][22][23][24].…”