Electronic structure of SrVO3 within GW+DMFT

Sakuma, R.; Werner, Philipp; Aryasetiawan, F.

doi:10.1103/PhysRevB.88.235110

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Journal article

Electronic structure of SrVO3 within GW+DMFT

Sakuma, R. Department of Physics, Division of Mathematical Physics, Lund University, Sweden
Werner, Philipp Department of Physics, University of Fribourg, Switzerland
Aryasetiawan, F. Department of Physics, Division of Mathematical Physics, Lund University, Sweden

10.12.2013

Published in:

Physical Review B. - 2013, vol. 88, no. 23, p. 235110

English We present a detailed calculation of the electronic structure of SrVO3 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 quasiparticle band structure and satellite features of SrVO3. The GW+DMFT results for SrVO3 are not attainable within the GW approximation or the LDA+DMFT scheme. We also compare the results of GW+DMFT to DMFT calculations based on the GW quasiparticle bands.

Faculty

Faculté des sciences et de médecine

Department

Département de Physique

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