Accuracy of downfolding based on the constrained random-phase approximation
- Shinaoka, Hiroshi Theoretische Physik, ETH Zürich, Switzerland - Department of Physics, University of Fribourg, Switzerland
- Troyer, Matthias Theoretische Physik, ETH Zürich, Switzerland
- Werner, Philipp Department of Physics, University of Fribourg, Switzerland
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29.06.2015
Published in:
- Physical Review B. - 2015, vol. 91, no. 24, p. 245156
English
We study the reliability of the constrained random-phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multiorbital lattice models with one strongly correlated “target” band and two weakly correlated “screening” bands. The full multiorbital system and the effective model are solved within dynamical mean-field theory (DMFT) in a consistent way. By comparing the quasiparticle weights for the correlated bands, we examine how accurately the effective model describes the low-energy properties of the multiband system. We show that the violation of the Pauli principle in the cRPA method leads to overscreening effects when the interorbital interaction is small. This problem can be overcome by using a variant of the cRPA method which restores the Pauli principle.
- 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 257364
- DOI 10.1103/PhysRevB.91.245156
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304517
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