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Magnetic Properties Of Fe-Doped Mnal, Priyanka Manchanda, Arti Kashyap, Jeffrey E. Shield, L. H. Lewis, Ralph Skomski

Ralph Skomski Publications

Electronic and magnetic properties of L1₀-ordered Fe_xMn_1−xAl alloys (x = 0, 0.0625, 0.125, 0.1875, 0.5) are investigated by first-principle supercell calculations. Pristine MnAl exhibits robust ferromagnetism involving the dense-packed Mn atoms in (001) planes of the tetragonal structure. Iron substitution for Mn significantly deteriorates the magnetiza­tion of the alloy. The reduction is a dilution effect, caused by the relatively small Fe moment of about 1.9 μ_B per atom, as compared to the Mn moment, which exceeds 2.4 μ_B. By contrast, 50% Fe substituted for Mn (x = 0.5) …