2004/03/19 by Timothy J. Prior, D. Nguyen-Manh, Victoria J. Couper +1 · 1 citation
Materials Science · Chemistry · #Magnetic and transport properties of perovskites and related materials #Inorganic Chemistry and Materials #Magnetic Properties of Alloys
paper · doi:10.1088/0953-8984/16/13/008
openalex publication_date 2004/03/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
The first example of ferromagnetism in a compound crystallizing with the filled beta-manganese structure is reported. Magnetometry and neutron diffraction show that Fe 1.5 Pd 0.5 Mo 3 N is ferromagnetic below 160 K, with a saturation magnetization of 2.44 μ B /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 μ B /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.