Dynamical screening in La2CuO4

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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.

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Authors
Organisations
External organisations
  • University of Fribourg
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Condensed Matter Physics
Original languageEnglish
Article number125142
JournalPhysical Review B (Condensed Matter and Materials Physics)
Volume91
Issue number12
Publication statusPublished - 2015
Publication categoryResearch
Peer-reviewedYes

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