Calculated ground-state properties of ternary uranium compounds

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Abstract
The compounds UTAl (T=Fe,Co,Ni,Ru,Rh,Ir,Pt) crystallize in the hexagonal ZrNiAl structure. Measurements suggest that the 5f electrons in these compounds are itinerant [V. Sechovsky and L. Havela, in Ferromagnetic Materials, edited by E. P. Wohlfarth and K. H. J. Buschow (North‐Holland, Amsterdam, 1988), Vol. 4, p. 309]. From self‐consistent linear muffin‐tin orbital energy‐band calculations for the compounds the transition to magnetism across the series is explained in terms of the calculated Stoner products. Inclusion of spin‐orbit interaction leads to an induced orbital moment in URhAl, consistent with the experimental observation that the magnetic properties of these compounds are highly anisotropic [V. Sechovsky and L. Havela, in Ferromagnetic Materials, edited by E. P. Wohlfarth and K. H. J. Buschow (North‐Holland, Amsterdam, 1988), Vol. 4, p. 309].