Electronic Structure of Strongly Correlated Systems
Figure 10
Total DOS and band structure of the phase of self-consistently obtained by the LSDA+ with eV and eV [155]. The Fermi level is denoted by the horizontal line and is taken as the zero of energy. A bandgap of 0.18 eV opens between M and Γ symmetry points. The energy bands predominantly originating from the and states are shown in dark gray (red) and light gray (green) colors, respectively, whereas the gray (blue) color corresponds to bands. For the majority spin an energy gap of ~2 eV opens between and bands shown in dark gray (red) and light gray (green) colors, respectively. The corresponding contributions to the total DOS are shown (a).
