Selective Orbital Imaging of Excited States with X-Ray Spectroscopy: The Example of α -MnS

摘要

Herein we show that nonresonant inelastic x-ray scattering involving an s core level is a powerful spectroscopic method to characterize the excited states of transition metal compounds. The spherical charge distribution of the s core hole allows the orientational dependence of the intensities of the various spectral features to produce a spatial charge image of the associated multiplet states in a straightforward manner, thereby facilitating the identification of their orbital character. In addition, the s core hole does not add an extra orbital angular momentum component to the multiplet structure so that the well-established Sugano-Tanabe-Kamimura diagrams can be used for the analysis of the spectra. For α -MnS we observe the spherical charge density corresponding to its high-spin 3 d 5 ( A 1 6 ) ground state configuration and we were able to selectively image its excited states and identify them as t 2 g ( T 2 5 ) and e g ( E 5 ) with an energy splitting 10 D q of 0.78?eV.