Dynamical screening in La2CuO4

Philipp Werner; Rei Sakuma; Fredrik Nilsson; Ferdi Aryasetiawan

doi:10.1103/PhysRevB.91.125142

paper

Dynamical screening in La2CuO4

arXiv:1411.3952 · doi:10.1103/PhysRevB.91.125142

Abstract

We show that the dynamical screening of the Coulomb interaction among Cu-d electrons in high-Tc cuprates is very 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 yield an insulator only if the frequency dependence of the Coulomb interaction is 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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