Ising-type anisotropy and spin state transitions in GdBaCo2O5.5 from first-principles calculations

Abstract Ising-type behaviour of GdBaCo 2 O 5.5 is analyzed from first principles calculations of the electronic structure of the material. The variations in its magnetic anisotropy properties in the different possible magnetic configurations is analyzed. A possible metallic phase is studied and an analysis of the electronic structure of the Co 3 + ions in that phase is presented.