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
Language
  • English
Classification
Physics
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/303450
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