Dynamical screening in La2CuO4
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.
- Publication:
-
Physical Review B
- Pub Date:
- March 2015
- DOI:
- 10.1103/PhysRevB.91.125142
- arXiv:
- arXiv:1411.3952
- Bibcode:
- 2015PhRvB..91l5142W
- Keywords:
-
- 71.20.-b;
- 71.27.+a;
- Electron density of states and band structure of crystalline solids;
- Strongly correlated electron systems;
- heavy fermions;
- Condensed Matter - Strongly Correlated Electrons
- E-Print:
- Phys. Rev. B 91, 125142 (2015)