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Crystal fields and the properties of the Kitaev candidate probed with x-ray absorption spectroscopy
Phys. Rev. B 114, 175123 – Published 17 September, 2026
DOI: https://doi.org/10.1103/t8x5-t8bg
Abstract
We directly probe the local electronic structure and magnetic properties of using x-ray absorption linear dichroism (XLD) and x-ray magnetic circular dichroism, complemented by full-multiplet cluster calculations. The Co -edge XLD spectra reveal significantly distorted octahedra, which are quantitatively described by a low-symmetry cluster model incorporating Co-O covalency and orbital mixing. We identify a dominant trigonal crystal-field splitting of approximately , which drives the system away from the ideal limit. We also demonstrate that a purely trigonal description is insufficient: small additional splittings of the and orbitals are essential to consistently reproduce the full set of experimental data, including the observed macroscopic in-plane magnetization anisotropy. Our results further establish as a honeycomb cobaltate relevant to Kitaev quantum spin liquid physics, featuring a doubly degenerate ground state.
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