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Previous ab initio super-cell calculations of the magnetic properties of the ordered Fe_{1-x}Al_{x} alloy in the B2 structure are extended to include the disordered state of the alloy and completed with the calculations for ordered and disordered Fe_{1-x}Si_{x} alloys. The configurations of the Fe atoms in the anti-site (AS) positions of Fe-X super-cell with the antiferromagnetic order were found...
The electronic and magnetic properties of the ordered binary Fe_{1-x}Al_{x} 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 Fe_{1-x}Al_{x} falls down rapidly. Upon lowering the unit cell volume, almost all configurations of compositions with x ≥...
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