Electronic Structure of Strongly Correlated Systems
Figure 11
Partial DOS obtained from the LSDA+ calculations with eV and eV for the phase of [155]. The Fermi level shown by dotted lines. A charge-ordered insulating solution is obtained. Fe minority states corresponding to and sites are occupied () and located just below the Fermi level, whereas and are empty (). The charge difference between 2+ and 3+ cations is found to be .
