High resolution study of Kβ′ and Kβ1,3 X-ray emission lines from Mn-compounds

High-resolution K beta emission spectra of several manganese compounds were measured in order to characterize the dependence of the K beta' and K beta(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 K beta' satellite structure relative to the main K beta(1,3) line decreases linearly with the formal oxidation state for Mn-O systems. A noticeable dispersion of the relative K beta' energy for different Mn2+ compounds could be observed. The dependence of the K beta' satellite line on the net charge and the effective 3d spin in Mn2+ compounds was investigated. Calculations of the net charge and the effective 3d spin were performed within the density- functional theory using the package SIESTA. A direct relation between this dispersion and the effective Mn 3d spin was found. (C) 2009 Elsevier B.V. All rights reserved.