Figure 7
Calculated spin density isosurfaces of CFO and CFO-Pd models. Isosurfaces of spin densities calculated for a 55 atoms cell of CFO. Yellow and blue isosurfaces correspond to majority spin-up and spin-down, respectively. Atom color code: Co—blue, Fe—green, O—grey, Pd—yellow-green. In (b,d), one Co(Oh) was replaced by Pd. For clarity, only a few atoms are plotted and the spin densities are shown for one Co(Oh) ion (located in the origin of the coordinate system), one Fe(Oh), one Fe(Td) and one oxygen anion connecting them. For (a,b), 40% Fock exchange was used and 70% Fock exchange was used for (c,d).
