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AbstractAbstract
[en] The electronic and magnetic properties of the ferromagnetic nitride Fe3N were investigated by use of the ASW method. The calculations were done in two different crystal structures: the experimental-hexagonal one and a hypothetical Cu3Au-type one- in order to correlate the magnetic structure of Fe3N with that of its homologues Fe3X (X = non-metal). Results were assessed in connection with existing experimental data (magnetic measurements, Moessbauer resonance). Independently of the structure, densities of states due to the iron-nitrogen bond are introduced at Fermi level and should play a role in the magnetism of the nitride. (orig.)
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