Abstract
Employing ab initio electronic structure calculations we study thedevelopment of the magnetic properties in Y (Co1−x Alx)2for varying Al concentration. The effect of substitutional disorder is treated in thecoherent-potential approximation implemented within a tight-binding linearmuffin-tin orbital method. The experimentally observed reduction of the criticalfield of the itinerant electron metamagnetic phase transition with increasingcontent of non-magnetic Al is explained. It is shown, on the basis of aT = 0 KStoner type itinerant magnetism theory, that the alloying-induced changes in theshape of the calculated density of states, caused by the Al substitution, lead to (i) astabilization of the magnetic state, (ii) a smoothening of the first-order metamagnetictransition and (iii) a subsequent suppression of the metamagnetic transition aroundx = 0.15.Analysing the magnetization processes in Y (Co1−x Alx)2by varying the strength of the exchange interaction, we provide a microscopicalbackground to earlier phenomenological assumptions made in the literature.
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