Dynamical screening in La2CuO4
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/5277939
- author
- Werner, Philipp ; Sakuma, Rei LU ; Nilsson, Fredrik LU and Aryasetiawan, Ferdi LU
- organization
- publishing date
- 2015
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 91
- issue
- 12
- article number
- 125142
- 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
- 2016-04-01 13:09:31
- date last changed
- 2022-01-27 17:39:50
@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.}}, 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}}, doi = {{10.1103/PhysRevB.91.125142}}, volume = {{91}}, year = {{2015}}, }