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Al and Mn atoms in form a cubic lattice. We show the perfect structure and the two types of the B2 structure which we considered. Arrows indicate the calculated orientation of the Mn spin magnetic moments. For the experimental lattice constant of 5.812 Å,15 the Mn–Mn nearest-neighbors distance in the B2 structure is while in the structure it is .
Calculated atom-resolved DOS for the three lattice structures under study. Positive values of the DOS correspond to the majority- and negative to the minority-spin electrons.
Calculated Mn–Mn exchange constants as a function of the distance.
Calculated spin magnetic moments in for the alloy and the calculated Curie and Néel (B2) temperatures within the random-phase-approximation. Experimental temperatures (last column) are from Ref. 15.
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