Conference paper (in proceedings)

Competition between Energy-Dependent U and Nonlocal Self-Energy in Correlated Materials: Application of GW+DMFT to SrVO3

  • 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
    18.02.2015
Published in:
  • Proceedings of Computational Science Workshop 2014 (CSW2014). - 2015
English We describe an implementation of the GW+DMFT method and apply it to calculate the electronic structure of SrVO₃. Our results show that there is a strong competition between the frequency-dependent Hubbard U and the non-local self-energy via the GW approximation. It is crucial to take into account these two aspects in order to obtain an accurate and coherent picture of the quasi-particle band structure and satellite features of SrVO₃. Our main conclusion is that the GW+DMFT results for SrVO₃ are not attainable within the GW approximation or the LDA+DMFT scheme.
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/304341
Statistics

Document views: 7 File downloads:
  • wer_cbe.pdf: 1