ELECTRONIC-STRUCTURE OF GD-BASED LAVES-PHASE ALLOYS

Ab initio electronic-structure calculations based on the linearized mu ffin-tin orbital method are reported for the ferromagnetic intermetall ic anoys Gd(Al(1-z)M(z))(2) with various nonmagnetic dopants M and x = 0, x = 0.25. The results of the theory are compared to x-ray photoemi ssion spectroscopy data and magnetic measurements. We find good agreem ent between experiment and theory for ground state properties and for the shape of the spectra near the Fermi level. The measured towering o f the paramagnetic Curie temperature in Gd(Al(1-z)M(z))(2) for increas ing dopant concentration x can be explained by a corresponding decreas e of the density of states N(E(F)) at the Fermi level.