Effect of the Coulomb repulsion and oxygen level on charge distribution and superconductivity in the Emery model for cuprates superconductors

Abstract

The Emery model (aka the three-band Hubbard model) offers a simplified description of the copper-oxide planes that form the building blocks of high-temperature superconductors. By contrast with the even simpler one-band Hubbard model, it differentiates between copper and oxygen orbitals and thus between oxygen occupation ($n_p$) and copper occupation ($n_d$). Here we demonstrate, using cluster dynamical mean field theory, how the two occupations are related to the on-site Coulomb repulsion $U$ on the copper orbital and to the energy difference $\epsilon_p$ between oxygen and copper orbitals. Since the occupations ($n_p$ and $n_d$) have been estimated from NMR for a few materials (LCO, YBCO and NCCO), this allows us to estimate the value of $U-\epsilon_p$ for these materials, within this model. We compute the density of states for these and the effect of $(U,\epsilon_p)$ on the $n_d$-$n_p$ curve, superconductivity, and antiferromagnetism.