Dynamical screening in La2CuO4

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.

References in corpus (7)

• The ALPS project release 1.3: open source software for strongly correlated systems
• Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
• Efficient DMFT-simulation of the Holstein-Hubbard Model
• Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
• Maximally Localized Wannier Functions within the FLAPW formalism
• Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2
• Correlation Strength, Gaps and Particle-Hole Asymmetry in High-Tc Cuprates: a Dynamical Mean Field Study of the Three-Band Copper-Oxide Model

Cited by in corpus (6)

• Multitier self-consistent $GW$+EDMFT
• On the dangers of partial diagrammatic summations: Benchmarks for the two-dimensional Hubbard model in the weak-coupling regime
• A spin-freezing perspective on cuprates
• Dynamically screened Coulomb interaction in the parent compounds of hole-doped cuprates, trends and exceptions
• $\text{Ab initio}$ derivation of effective Hamiltonian for La${}_2$CuO${}_4$/La${}_{1.55}$Sr${}_{0.45}$CuO${}_4$ heterostructure
• Position Representation of Effective Electron-Electron Interactions in Solids