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Ferromagnetism in the beta-manganese structure: Fe1.5Pd0.5Mo3N

The first example of ferromagnetism in a compound crystallizing with the filled beta-manganese structure is reported. Magnetometry and neutron diffraction show that Fe1.5Pd0.5Mo3N is ferromagnetic below 160 K, with a saturation magnetization of 2.44 μB/formula unit which is associated with the Fe/Pd sublattice. Self-consistent spin-polarized electronic structure calculations, performed within density functional theory, predict an average magnetic moment of 2.93 μB/formula unit at T = 0 K. The moment is shown to be a result of the fulfilment of a local Stoner criterion on the Fe sites.