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

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Amorese,  A.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Leedahl,  B.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Sundermann,  M.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Gretarsson,  H.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Hu,  Z.
Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schmidt,  M.
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Borrmann,  H.
Horst Borrmann, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yu.
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Severing,  A.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Tjeng,  L. H.
Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Amorese, A., Leedahl, B., Sundermann, M., Gretarsson, H., Hu, Z., Lin, H.-J., et al. (2021). Selective Orbital Imaging of Excited States with X-Ray Spectroscopy: The Example of α-MnS. Physical Review X, 11(1): 011002, pp. 1-11. doi:10.1103/PhysRevX.11.011002.


Cite as: http://hdl.handle.net/21.11116/0000-0007-CDE6-F
Abstract
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 alpha-MnS we observe the spherical charge density corresponding to its high-spin 3d(5) ((6)A(1)) ground state configuration and we were able to selectively image its excited states and identify them as t(2g) (T-5(2)) and e(g) (E-5) with an energy splitting 10Dq of 0.78 eV.