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- W2796006094 abstract "Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized $t!-!J$ model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous textit{ab initio} calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half-filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized $t!-!J$ model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates." @default.
- W2796006094 created "2018-04-13" @default.
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- W2796006094 date "2018-04-27" @default.
- W2796006094 modified "2023-10-07" @default.
- W2796006094 title "Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO" @default.
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- W2796006094 doi "https://doi.org/10.1103/physrevlett.120.177001" @default.
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