Comparative study of correlation effects in CaVO3 and SrVO3

We present parameter-free $\mathrm{LDA}+\mathrm{DMFT}$ (local density $\text{approximation}+\text{dynamical}$ mean field theory) results for the many-body spectra of cubic $\mathrm{Sr}\mathrm{V}{\mathrm{O}}_{3}$ and orthorhombic $\mathrm{Ca}\mathrm{V}{\mathrm{O}}_{3}$. Both systems are found to be strongly correlated metals, but not on the verge of a metal-insulator transition. In spite of the considerably smaller $\mathrm{V}\mathrm{O}\mathrm{V}$ bonding angle in $\mathrm{Ca}\mathrm{V}{\mathrm{O}}_{3}$, the $\mathrm{LDA}+\mathrm{DMFT}$ photoemission spectra of the two systems are very similar, their quasiparticle parts being almost identical. The calculated x-ray absorption spectra show more pronounced, albeit still small, differences. This is in contrast to earlier theoretical and experimental conclusions, but in agreement with recent bulk-sensitive photoemission and x-ray absorption experiments.