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

Abstract: High-resolution Kβ emission spectra of several manganese compounds were measured in order to characterize the dependence of the Kβ′ and Kβ1,3 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 Kβ1,3 line decreases linearly with the formal oxidation state for Mn–O systems. A noticeable dispersion of the relative Kβ′ energy for different Mn2+ compounds could be observed. The dependence of the Kβ′ 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. [Copyright &y& Elsevier]