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Spectroscopic analysis demonstrates significant copper site disorder in the spin-liquid candidate CuAl2O4, suggesting structural defects influence its magnetic properties.
The results of full study of X-ray photoelectron spectra (XPS) of spin-liquid candidate CuAl2O4 including the measurements of high-energy resolved core level (Cu $$2p$$ , Al $$3p$$ , O $$1s$$ ), Cu LMM Auger and valence band spectra are presented. The comparison of obtained results with spectra of reference samples and specially performed density functional theory calculations has confirmed a finite Cu site-disorder in CuAl2O4, where about 30% of Cu2+ ions occupy the octahedral sites. Obtained valence band spectra can be used in further theoretical studies aimed on the investigation of electronic and magnetic properties of this mysterious ma-terial.
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Zhidkov et al. (2021) studied this question.
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