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
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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
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 255968
- DOI 10.7566/JPSCP.5.010001
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304341
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