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Dynamical screening in La2CuO4

Werner, Philipp; Sakuma, Rei LU ; Nilsson, Fredrik LU and Aryasetiawan, Ferdi LU (2015) In Physical Review B (Condensed Matter and Materials Physics) 91(12).
Abstract
We show that the dynamical screening of the Coulomb interaction among Cu-d electrons in high-Tc cuprates is strong and that a proper treatment of this effect is essential for a consistent description of the electronic structure. In particular, we find that ab initio calculations for undoped La2CuO4 in the paramagnetic phase yield an insulator only if the frequency dependence of the Coulomb interaction and the interatomic interaction between p and d electrons are taken into account. We also identify a collective excitation in the screened interaction at 9 eV, which is rather localized on the copper site, and which is responsible for a satellite structure at energy -13 eV, located below the p bands.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
91
issue
12
publisher
American Physical Society
external identifiers
  • wos:000352019600002
  • scopus:84926500461
ISSN
1098-0121
DOI
10.1103/PhysRevB.91.125142
language
English
LU publication?
yes
id
3156d127-b70c-42e3-9ba7-1da9d2a4205b (old id 5277939)
date added to LUP
2015-04-24 10:06:57
date last changed
2017-09-24 03:52:54
@article{3156d127-b70c-42e3-9ba7-1da9d2a4205b,
  abstract     = {We show that the dynamical screening of the Coulomb interaction among Cu-d electrons in high-Tc cuprates is strong and that a proper treatment of this effect is essential for a consistent description of the electronic structure. In particular, we find that ab initio calculations for undoped La2CuO4 in the paramagnetic phase yield an insulator only if the frequency dependence of the Coulomb interaction and the interatomic interaction between p and d electrons are taken into account. We also identify a collective excitation in the screened interaction at 9 eV, which is rather localized on the copper site, and which is responsible for a satellite structure at energy -13 eV, located below the p bands.},
  articleno    = {125142},
  author       = {Werner, Philipp and Sakuma, Rei and Nilsson, Fredrik and Aryasetiawan, Ferdi},
  issn         = {1098-0121},
  language     = {eng},
  number       = {12},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Dynamical screening in La2CuO4},
  url          = {http://dx.doi.org/10.1103/PhysRevB.91.125142},
  volume       = {91},
  year         = {2015},
}