Dynamical screening in La2CuO4

Philipp Werner, Rei Sakuma, Fredrik Nilsson, Ferdi Aryasetiawan

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

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.
Originalspråkengelska
Artikelnummer125142
TidskriftPhysical Review B (Condensed Matter and Materials Physics)
Volym91
Nummer12
DOI
StatusPublished - 2015

Ämnesklassifikation (UKÄ)

  • Den kondenserade materiens fysik

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