Comparative study of correlation effects in CaVO3 and SrVO3
I. A. Nekrasov, G. Keller, D. E. Kondakov, A. V. Kozhevnikov, Th. Pruschke, K. Held, D. Vollhardt, V. I. Anisimov
Abstract
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 bond angle in CaVO3 the LDA+DMFT spectra of the two systems for energies E<EF are very similar, their quasiparticle parts being almost identical. The calculated spectrum for E>EF shows more pronounced, albeit still small, differences. This is in contrast to earlier theoretical and experimental conclusions, but in good agreement with recent bulk-sensitive photoemission and x-ray absorption experiments.
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