Abstract
We show that the dynamical screening of the Coulomb interaction among Cu- electrons in high- 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 in the paramagnetic phase yield an insulator only if the frequency dependence of the Coulomb interaction and the interatomic interaction between and 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 eV, located below the bands.
1 More- Received 14 November 2014
- Revised 12 March 2015
DOI:https://doi.org/10.1103/PhysRevB.91.125142
©2015 American Physical Society