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
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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
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 209579
- DOI 10.1103/PhysRevB.88.235110
- Persistent URL
- https://folia.unifr.ch/unifr/documents/303450
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