Thursday, July 25, 2013

1307.6361 (R. Sakuma et al.)

Consistent description of the electronic structure of SrVO$_{3}$ within

R. Sakuma, Ph. Werner, F. Aryasetiawan
We present a detailed calculation of the electronic structure of SrVO$_{3}$ based on the GW+DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasi-particle band structure and satellite features of SrVO$_{3}$. The GW+DMFT results for SrVO$_{3}$ are not attainable within the GW approximation or the LDA+DMFT scheme.
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