Abstract
With a treatment of the states of based on (LDA—local-density approximation) method, the mixing of Eu f states with B p states around the X point of the Brillouin zone is shown to have unexpected consequences for the effective exchange interactions. We analyze in detail the orbital character of electronic states close to the Fermi level and discuss the effective exchange between the itinerant electrons and the local moments. The analysis suggests that the ordered phase may provide the first example of a half-metallic semimetal, and that the physics of should be described in terms of a two-band Kondo lattice model with parallel (ferromagnetic) coupling of the conduction electrons and antiparallel (antiferromagnetic) coupling of the valence electrons to the local moments.
- Received 14 August 2003
DOI:https://doi.org/10.1103/PhysRevB.69.165111
©2004 American Physical Society