Ground-state properties of ternary uranium compounds: II. Magnetic properties

Abstract

For pt. I see ibid., vol. 7, p. 9499 (1995). We examine the compounds U(T)Al forming in the ZrNiAl structure where T is a group 6-8 transition metal. From first-principles calculations we find, in agreement with experiment, the transition from paramagnetism to magnetism across the series. The inclusion of spin-orbit coupling and orbital polarization yields fair agreement with measurements for the calculated magnetic moments. Two magnetic states are found for URhAl.