Comparative study of correlation effects in CaVO3 and SrVO3 -: art. no. 155106

We present parameter-free LDA+DMFT (local density approximation+dynamical mean field theory) results for the many-body spectra of cubic SrVO3 and orthorhombic CaVO3. 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 V-O-V bonding angle in CaVO3, the LDA+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.