Abstract
Abstract High-resolution Kβ emission spectra of several manganese compounds were measured in order to characterize the dependence of the Kβ′ and Kβ 1,3 features, on the chemical environment. High resolution spectra were obtained using a non-conventional spectrometer based on quasi-back-diffraction geometry at National Synchrotron Light Laboratory (LNLS). It was found that the energy of the Kβ′ satellite structure relative to the main Kβ 1,3 line decreases linearly with the formal oxidation state for Mn–O systems. A noticeable dispersion of the relative Kβ′ energy for different Mn 2+ compounds could be observed. The dependence of the Kβ′ satellite line on the net charge and the effective 3 d spin in Mn 2+ compounds was investigated. Calculations of the net charge and the effective 3 d spin were performed within the density-functional theory using the package SIESTA. A direct relation between this dispersion and the effective Mn 3 d spin was found.
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