Investigation of the multiplet features of SrTiO3 in X-ray absorption spectra based on configuration interaction calculations

Wu, M.; Xin, H.L.; Wang, J.O.; Li, X.J.; Yuan, X.B.; Zeng, H.; Zheng, J.-C.; Wang, H.-Q.

doi:10.1107/S160057751800423X

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Figure 5
(a, b) Calculated soft X-ray absorption spectra for a TiO₆ cluster with photon polarization parallel ( $[E\parallel c]$ ) and perpendicular ( $[E\perp c]$ ) to the crystal c-axis at different $[\Delta_{t2g}]$ values and different $[\Delta_{eg}]$ values, i.e. −300, −240, −120, −60, 0, 60, 120, 240 and 300 meV from top to bottom spectra. The crystal field splitting value is shown beside the corresponding plot in units of meV. (c, d) Normalized linear dichroic spectra, i.e. ( $[{\rm{XAS}}_{E\perp,c}]$ − $[{\rm{XAS}}_{E\parallel c}]$ )/[(2I_x+I_z)/3] for different $[\Delta_{t2g}]$ and $[\Delta_{eg}]$ values.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 25| Part 3| May 2018| Pages 777-784

https://doi.org/10.1107/S160057751800423X

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