Comparative study of correlation effects in CaVO3 and SrVO3

Details Comparative study of correlation effects in CaVO3 and SrVO3 Comparative study of correlation effects in CaVO3 and SrVO3

2005-01-11

arxiv.org/abs/cond-mat/0501240v2

Phys. Rev. B 72, 155106 (2005)

Physics

Condensed Matter

Strongly Correlated Electrons

15 pages, 6 figures

Scientific paper

10.1103/PhysRevB.72.155106

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 bond angle in CaVO3 the LDA+DMFT spectra of the two systems for energies EE_F 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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