Neutron diffraction and magnetic studies of Nd/sub 2/Fe/sub 17-x/T/sub x/ (T=Si, Mn) alloys

Atomistic simulation of rare earth compounds Sm2Fe17−xTx (T = Ti, V, Cr, Mo, Ni)

“…The cohesive energy is lower when the T atoms are substituted for Fe on the 6c sites rather than for Fe on the 18f and 18h sites. This indicates that the preferential site of T atoms is the 6c site, which agrees reasonably well with the experiment results [20][21][22]. Therefore, we concluded that the T atoms have the same site preference in Fe-based compounds as in the Co-based compounds [23], and the preferential sites are the 6c sites.…”

Magnetic properties of Ho2Fe17−xMnx– influence of Mn substitution

“…Compared with the substitution of T = Al, Ga and Si where the lattice parameters in R 2 Fe 17-x T x exhibit monotonic behaviour with increasing x, it was found that R 2 Fe 17-x Mn x (R=Nd [3], Pr [4], Tb [5], Dy [6], Er [7]) shows unexpected behaviour in that the unit-cell volume first exhibits a slight maximum around x=0.5-2 before increasing monotonically with further increase in x. Some authors ascribed this unexpected composition dependence of lattice volume with Mn content in R 2 Fe 17−x Mn x compounds to the preferential occupation of Mn atoms for the dumbbell pair site 6c (in Th 2 Zn 17 -type structure) or 4f (in Th 2 Ni 17 -type structure) which has the largest Wigner-Seitz cell (WSC) volumes [3], while others suggested that the magnetovolume effect in these compounds -for which the Curie temperature T C is close to or above room temperature -should be responsible for this unexpected anomaly [5][6][7]. Following our previous studies of Dy 2 week, and then quenched in water.…”

Investigation of structural imitation and lattice vibrations of Pr2Fe17−xMnx compounds

“…As the Mn atoms occupy the 6c site, the cohesive energy of Pr 2 Fe 17Àx Mn x decrease most significantly; for the 18f or 18h sites, the energy decreases less, and for the 9d sites, the cohesive energy is comparatively high. So Mn atoms will preferentially occupy the 6c sites, and the order of site preference is 6c, 18f, 18h and 9d, which correspond with some experiments [21][22][23]. This can be concluded that the Mn atoms have the same site preference in Fe-based as in the Co-based [24][25][26] compounds, and the preferential sites are the 6c sites.…”