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- W4320914873 abstract "The one-band and three-band Hubbard models which describe the electronic structure of cuprates indicate very different values of effective electronic parameters, such as the on-site Coulomb energy and the hybridization strength. In contrast, a comparison of electronic parameters of several cuprates with corresponding values from spectroscopy and scattering experiments indicates similar values in the three-band model and cluster model calculations used to simulate experimental results. The Heisenberg exchange coupling $J$ obtained by a downfolding method in terms of the three band parameters is used to carry out an optimization analysis consistent with $J$ from neutron scattering experiments for a series of cuprates. In addition, the effective one-band parameters $tilde{U}$ and $tilde{t}$ are described using the three band parameters, thus revealing the hidden equivalence of the one-band and three-band models. The ground-state singlet weights obtained from an exact diagonalization elucidates the role of Zhang-Rice singlets in the equivalence. The results provide a consistent method to connect electronic parameters obtained from spectroscopy and the three-band model with values of $J$ obtained from scattering experiments, band dispersion measurements and the effective one-band Hubbard model." @default.
- W4320914873 created "2023-02-16" @default.
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- W4320914873 date "2023-02-15" @default.
- W4320914873 modified "2023-10-15" @default.
- W4320914873 title "Connecting the one-band and three-band Hubbard models of cuprates via spectroscopy and scattering experiments" @default.
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- W4320914873 doi "https://doi.org/10.1103/physrevb.107.085125" @default.
- W4320914873 hasPublicationYear "2023" @default.
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