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Crystallographic and magnetic properties of Fe5PB2, Fe4CoPB2, Fe4MnPB2,Fe5SiB2, Fe4CoSiB2, and Fe4MnSiB2 are reported. All adopt the tetragonal Cr5B3structure-type and are ferromagnetic at room temperature with easy axis ofmagnetization along the c-axis. The spin reorientation in Fe5SiB2 is observedas an anomaly in the magnetization near 170 K, and is suppressed bysubstitution of Co or Mn for Fe. The silicides are found to generally havelarger magnetic moments than the phosphides, but the data suggests smallermagnetic anisotropy in the silicides. Cobalt substitution reduces the Curietemperatures by more than 100 K and ordered magnetic moments by 16-20%, whilemanganese substitution has a much smaller effect. This suggests Mn momentsalign ferromagnetically with the Fe and that Co does not have an ordered momentin these structures. Anisotropic thermal expansion is observed in Fe5PB2 andFe5SiB2, with negative thermal expansion seen along the c-axis of Fe5SiB2.First principles calculations of the magnetic properties of Fe5SiB2 andFe4MnSiB2 are reported. The results, including the magnetic moment andanisotropy, and are in good agreement with experiment.

Magnetic and structural properties of ferromagnetic Fe5PB2 and Fe5SiB2 and effects of Co and Mn substitutions