Cu-O network dependent core-hole screening in low-dimensional cuprates: A theoretical analysis

Abstract

We analyze the influence of the dimensionality on the Cu 2p3/2 core level X-ray photoemission spectra of undoped cuprates. Both exchange splitting and delocalization properties are described within one framework using a multi-band Hubbard model. The spectral intensity is calculated by means of the Mori-Zwanzig projection technique for a CuO4 plaquette ('zero'-dimensional), an infinite CuO3 chain (one-dimensional), and an infinite CuO2 plane (two-dimensional). The results are compared to the spectra of Bi2CuO4, Sr2CuO3, and Sr2CuO2Cl2. Our analysis allows to distinguish between effects of the Cu-O geometry and effects from material-specific properties.

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