Dynamical screening in La2CuO4
Research output: Contribution to journal › Article
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.
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Journal||Physical Review B (Condensed Matter and Materials Physics)|
|Publication status||Published - 2015|
Related research output
Unifying first-principles and model approaches for strongly correlated materials: Interplay between long- and short-range correlationsFredrik Nilsson, 2019 Jan, Lund: Lund University. 236 p.
Research output: Thesis › Doctoral Thesis (compilation)