Electronic structure and Curie temperature of YFe12-xMoxNy compounds

The electronic structures of YFe12-xMoxNy , where x=1.0, 2.0 and y=0, 0.7, have been studied with photoemission and spin-polarized calculations. The peak near the Fermi level in the energy distribution curves (EDC) becomes successively broader with larger Mo concentration. The features in the calculated density of state at 1.3 and 2.7 eV are not readily seen in the EDC, and this may be due to lifetime effects in these compounds. Finally, changes in Curie temperature (Tc) with the change of N or Mo concentration are compared with prediction of the theory of Mohn and Wohlfarth. Reasonable agreement is obtained in the N case but not in the Mo case, the latter most likely due to hybridization of Fe and Mo d bands