Electronic structure of the pseudobinary U(Rh1−yPdy)3alloys

Self-consistent energy band calculations have been made for ${\mathrm{URh}}_3$ and ${\mathrm{UPd}}_3$ and the fictitious compounds ${\mathrm{URh}}_2$Pd and ${\mathrm{URhPd}}_2$. The calculated electronic structures of these ordered compounds are used to estimate the critical concentration for the onset of ferromagnetism in the pseudobinary U(${\mathrm{Rh}}_{1\mathrm{-}\mathrm{y}}$ ${\mathrm{Pd}}_{\mathrm{y}}$ ${)}_3$ alloys. Calculations based on the virtual crystal approximation give results very similar to those for the ordered compounds. An explanation of the anomalous volume dependence of the alloys upon y, involving a Mott transition of the 5f electrons, is presented.