Influence of the Local Environment on the Magnetic Properties of the Ordered Fe1-xAlx Alloy |
| J. Deniszczyk Institute of Physics and Chemistry of Metals, Silesian University, Bankowa 12, 40-007 Katowice, Poland |
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| The electronic and magnetic properties of the ordered binary Fe1-xAlx alloy with the B2 crystal structure were calculated for Al concentrations x=0.1875-0.5 using the supercell structure. The calculations showed that for increasing Al contents the average magnetization of Fe1-xAlx falls down rapidly. Upon lowering the unit cell volume, almost all configurations of compositions with x ≥ 0.25 show the abrupt change of magnetic state from the high moment magnetic state to the low moment magnetic state with the moment reduction 0.6-0.8 μB per atom. The configurations were found for which the low moment magnetic state solutions with the antiferromagnetic alignment of magnetic moments of Fe atoms at antisite positions are stable. |
| DOI: 10.12693/APhysPolA.97.583 PACS numbers: 71.15.La, 71.15.Fv, 71.20.Lp, 75.50.Bb, 75.30.-m |