Doping evolution of the oxygen K-edge x-ray absorption spectra of cuprate superconductors using a three-orbital Hubbard model

C.-C. Chen; M. Sentef; Y. F. Kung; C. J. Jia; R. Thomale; B. Moritz; A. P. Kampf; T. P. Devereaux

doi:10.1103/PhysRevB.87.165144

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Doping evolution of the oxygen K-edge x-ray absorption spectra of cuprate superconductors using a three-orbital Hubbard model

C.-C. Chen, M. Sentef, Y. F. Kung, C. J. Jia, R. Thomale, B. Moritz, A. P. Kampf, T. P. Devereaux

DOI 10.1103/PhysRevB.87.165144 · Physical Review B

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Abstract

We study oxygen K-edge x-ray absorption spectroscopy (XAS) and investigate the validity of the Zhang-Rice singlet (ZRS) picture in overdoped cuprate superconductors. Using large-scale exact diagonalization of the three-orbital Hubbard model, we observe the effect of strong correlations manifesting in a dynamical spectral weight transfer from the upper Hubbard band to the ZRS band. The quantitative agreement between theory and experiment highlights an additional spectral weight reshuffling due to core-hole interaction. Our results confirm the important correlated nature of the cuprates and elucidate the changing orbital character of the low-energy quasiparticles, but also demonstrate the continued relevance of the ZRS even in the overdoped region.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
La2-xSrxCuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
La2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown