Comment on "Relevance of Cu-3d multiplet structure in models of high Tc cuprates''

Abstract

In a recent work [M. Jiang, M. Moeller, M. Berciu, and G. A. Sawatzky, Phys. Rev. B \textbf{101}, 035151 (2020)], the authors solved a model with a Cu impurity in an O-2p band as an approximation to the local electronic structure of a hole doped cuprate. One of their conclusions is that the ground-state has only $\sim 50$ \% overlap with a Zhang-Rice singlet (ZRS). This claim is based on the definition of the ZRS in a different representation, in which the charge fluctuations at the Cu site have been eliminated by a canonical transformation. The correct interpretation of the results, based on known low-energy reduction procedures for a multiband model including 3d${}^8$ and 3d${}^{10}$ configurations of Cu, indicates that this overlap is near 94 \%.

arXiv comment3 pages, no figures

References in corpus (7)

• Excitons in insulating cuprates
• Range of the t--J model parameters for CuO${}_2$ plane: experimental data constraints
• d-wave superconductivity in a generalized Hubbard model
• Charge dynamics in the Mott insulating phase of the ionic Hubbard model
• Non-Zhang-Rice singlet character of the first ionization state of T-CuO
• Relevance of Cu-3d multiplet structure in models of high Tc cuprates
• Generalized one-band model based on Zhang-Rice singlets for Tetragonal CuO

Cited by in corpus (3)

• Effective one-band models for the 1D cuprate Ba${}_{2-x}$Sr${}_x$CuO${}_{3+\delta }$
• Magnon-assisted dynamics of a hole doped in a cuprate superconductor
• Formation of CuO${}_2$ sublattices by suppression of interlattice correlations in tetragonal CuO