Fe K? X-ray Emission Spectroscopy of FeS and FeS2 by means of a compact full-cylinder von Hamos spectrometer

Abstract

We present Fe Kβ X-ray emission spectra of Iron(II)sulfide (FeS) and Iron(II)disulfide (FeS2) by means of a single full-cylinder von Hamos spectrometer. An optimized ratio of cylinder height to cylinder radius enables an energy band width of up to 700 eV while still achieving a spectral resolving power of E/∆E = 800. The increased bandwidth is exploited by referencing the chemical sensitive Fe Kβ line energies to the less sensitive Fe Kα doublet overcoming the instrumental sensitivity of wavelength-dispersive spectrometers to sample positioning. This results in a robust energy scale which is needed to correct ab initio valence-to-core calculations for self- absorption effects in order to compare them to experiment. The ab initio calculations are realized using the OCEAN package and compared to both, XES and NEXAFS, using the same input parameters.