<i>Ab-initio</i> investigation of electronic excitations in bulk V₂O₅

We present an ab-initio investigation of electronic excitations in bulk V₂O₅. Time-dependent Density-Functional Theory (TDDFT) calculations were performed to obtain the dielectric function within the linear response. When crystal local field effects are included, we find a quantitative agreement between theoretical and experimental electron energy loss spectra (EELS) for all the momentum transfers considered in the experiment [1]. The observed anisotropy of the EELS is analyzed. We also discuss photoemission and optical spectra including corrections from Many-Body Perturbation Theory.
[1] S. Arzkern et al. Phys. Rev. B 61, 12792 (2000)