Core-level X-ray photoelectron spectrum of the ladder vanadate NaV2O5 is calculated with an extended Hubbard model, adopting a numerically exact diagonalization method based on the Lanczos algorithm. The result shows that the d band filling dependence of the spectrum deviates considerably from the simple statistical ratio of V4+ to V5+ in NaV2O5, which indicates the importance of the delocalized nature of d electron states. It is also shown that the spectrum is significantly influenced by the intersite Coulomb interaction and lattice distortion, which are responsible for the charge ordering.
ASJC Scopus subject areas
- Physics and Astronomy(all)