Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides

钴硫化物和卤化物的 2p3d 共振非弹性 X 射线散射的电荷转移分析

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作者:Ru-Pan Wang, Boyang Liu, Robert J Green, Mario Ulises Delgado-Jaime, Mahnaz Ghiasi, Thorsten Schmitt, Matti M van Schooneveld, Frank M F de Groot

Abstract

We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF2, CoCl2, CoBr2, and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution and the direct observation of the crystal field and charge-transfer excitations allow the determination of more accurate parameters than could be derived from X-ray absorption and X-ray photoemission, both limited in resolution by their lifetime broadening. We derive the crystal field and charge-transfer parameters of the Co2+ ions, which provides the nature of the ground state of the Co2+ ions with respect to symmetry and hybridization. In addition, the increased spectral resolution allows the more accurate determination of the atomic Slater integrals. The results show that the crystal field energy decreases with increasing ligand covalency. The L2 edge RIXS spectra show that the intensity of the (Coster-Kronig induced) nonresonant X-ray emission is a measure of ligand covalency.

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