Correlation of maximum superconducting critical temperature with copper-oxygen energy distance and oxygen hole content in the Emery model

Abstract

Identifying microscopic parameters that optimize the maximum superconducting critical temperature $T_c^{\rm max}$ in the canonical model of the copper-oxygen plane of cuprates, the Emery model, remains challenging. Using cellular dynamical mean-field theory at finite temperature, we find that for a fixed charge gap size in the parent charge-transfer insulating state, $T_c^{\rm max}$ unexpectedly increases with increasing the copper-oxygen energy distance, as this favors the transfer of electrons from oxygen to copper orbitals. We show that these findings emerge naturally in the Zaanen-Sawatzky-Allen scheme and capture observed trends in hole-doped cuprates. Overall, our study uncovers that $T_c^{\rm max}$ is optimized in the Emery model under three conditions: upon doping a charge-transfer insulator, close to the charge-transfer insulator to metal boundary, and deep into the charge-transfer regime. This finding indicates new paths for optimizing $T_c^{\rm max}$.