Electronic Structure of Strongly Correlated Systems

Figure 33

Spin-projected densities of the 2𝑝 states of the three inequivalent oxygen atoms (a) and the V 3𝑑 states (b) in 𝛼^-NaV₂O₅ calculated for 𝑈_eff=3eV and AFM order of V magnetic moments along the 𝑏 direction. For comparison the densities of the V 3𝑑 states calculated for 𝑢_𝑦=0.3 are also shown by dashed lines in (b). All energies are given relative to the valence-band maximum [249].