Dynamical screening in La2CuO4

Philipp Werner, Rei Sakuma, Fredrik Nilsson, and Ferdi Aryasetiawan
Phys. Rev. B 91, 125142 – Published 26 March 2015

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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  • Received 14 November 2014
  • Revised 12 March 2015

DOI:https://doi.org/10.1103/PhysRevB.91.125142

©2015 American Physical Society

Authors & Affiliations

Philipp Werner1, Rei Sakuma2, Fredrik Nilsson2, and Ferdi Aryasetiawan2

  • 1Department of Physics, University of Fribourg, 1700 Fribourg, Switzerland
  • 2Department of Physics, Division of Mathematical Physics, Lund University, Sölvegatan 14A, 223 62 Lund, Sweden

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Vol. 91, Iss. 12 — 15 March 2015

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