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Electronic structure and magnetic properties of selected compounds in the DyNi5-xAlx system

Results of electronic structure calculations of selected compounds in the DyNi5-xAlx system are reported and discussed. The tight-binding version of linear muffin-tin orbital method within the atomic sphere approximation was employed. Calculations were performed for DyNi5, DyNi4Al and DyNi3Al2 which crystallize with the CaCu5 type of structure and for models of compounds DyNi4.5Al0.5 and DyNi4.67Al0.33. The influence of aluminium on nickel magnetic moments was investigated. It was found that at higher concentrations of aluminium (x=1, 2) nickel moments decrease rapidly, while in the compounds with x=0.5, 0.33 nickel moments are strongly dependent on the position of aluminium atoms. In all compounds coupling between dysprosium and nickel moments is ferrimagnetic the only exception being DyNi3Al2.

electronic structure; magnetic moments; intermetallic compounds

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