When strong correlations become weak : Consistent merging of GW and DMFT
(2016) In Physical Review B 94(20).- Abstract
The cubic perovskite SrVO3 is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the d-electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous "ab initio" simulations, has to be reconsidered. Using a fully self-consistent GW + extended dynamical mean-field theory calculation we find that the screening from nonlocal Coulomb interactions substantially reduces the effective local Coulomb repulsion, and at the same time leads to strong plasmonic effects. The resulting effective local interactions are too weak to produce pronounced Hubbard bands in the... (More)
The cubic perovskite SrVO3 is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the d-electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous "ab initio" simulations, has to be reconsidered. Using a fully self-consistent GW + extended dynamical mean-field theory calculation we find that the screening from nonlocal Coulomb interactions substantially reduces the effective local Coulomb repulsion, and at the same time leads to strong plasmonic effects. The resulting effective local interactions are too weak to produce pronounced Hubbard bands in the local spectral function, while prominent plasmon satellites appear at energies which agree with those of the experimentally observed sidebands. Our results demonstrate the important role of nonlocal interactions and dynamical screening in determining the effective interaction strength of correlated compounds.
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- author
- Boehnke, L. ; Nilsson, Fredrik LU ; Aryasetiawan, F. LU and Werner, P.
- organization
- publishing date
- 2016
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B
- volume
- 94
- issue
- 20
- article number
- 201106
- publisher
- American Physical Society
- external identifiers
-
- wos:000387538400001
- scopus:84995378087
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.94.201106
- language
- English
- LU publication?
- yes
- id
- b2eaa1bd-4052-43c2-9d31-464ce7af8ef3
- date added to LUP
- 2017-02-24 10:36:40
- date last changed
- 2024-03-31 04:47:23
@article{b2eaa1bd-4052-43c2-9d31-464ce7af8ef3,
abstract = {{<p>The cubic perovskite SrVO3 is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the d-electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous "ab initio" simulations, has to be reconsidered. Using a fully self-consistent GW + extended dynamical mean-field theory calculation we find that the screening from nonlocal Coulomb interactions substantially reduces the effective local Coulomb repulsion, and at the same time leads to strong plasmonic effects. The resulting effective local interactions are too weak to produce pronounced Hubbard bands in the local spectral function, while prominent plasmon satellites appear at energies which agree with those of the experimentally observed sidebands. Our results demonstrate the important role of nonlocal interactions and dynamical screening in determining the effective interaction strength of correlated compounds.</p>}},
author = {{Boehnke, L. and Nilsson, Fredrik and Aryasetiawan, F. and Werner, P.}},
issn = {{1098-0121}},
language = {{eng}},
number = {{20}},
publisher = {{American Physical Society}},
series = {{Physical Review B}},
title = {{When strong correlations become weak : Consistent merging of GW and DMFT}},
url = {{http://dx.doi.org/10.1103/PhysRevB.94.201106}},
doi = {{10.1103/PhysRevB.94.201106}},
volume = {{94}},
year = {{2016}},
}