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When strong correlations become weak : Consistent merging of GW and DMFT

Boehnke, L.; Nilsson, Fredrik LU ; Aryasetiawan, F. LU and Werner, P. (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
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B
volume
94
issue
20
publisher
American Physical Society
external identifiers
  • scopus:84995378087
  • wos:000387538400001
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
2017-09-24 05:07:59
@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>},
  articleno    = {201106},
  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},
  volume       = {94},
  year         = {2016},
}