4f-Band Magnetism in CeFe2

Abstract

We explain the anomaly in the lattice constants of the series Ce${\mathrm{Fe}}_2$-Ce${\mathrm{Ni}}_2$ quantitatively in terms of $3d-4f$ hybridization rather than a valence change. Ce${\mathrm{Fe}}_2$ is calculated to be magnetic and is the first Ce compound for which self-consistent energy-band calculations yield the correct total moment (${2.4}_{\mathrm{\mu }\mathrm{B}}$/formula unit) including a contribution of ${-0.4\mathrm{}}_{\mathrm{\mu }\mathrm{B}}$ from the $4f$ electrons. The calculated magnetization density and spin-resolved density of states, which are unique to itinerant-electron theory, may be verified in detail by magnetic form-factor and spin-polarized photoemission measurements.