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 4
Isotropic spectra with different hybridization strengths. The effect of hybridization strength $[pd\sigma]$ (ranging from 0 to 4 eV with an interval of 0.5 eV) on the simulated isotropic spectra [(a)]. (b) Energy splitting $[\Delta_{L3}]$ and $[\Delta_{L2}]$ versus $[pd\sigma]$ values. The straight lines denote the experimental $[\Delta_{L3,{\rm{exp}}}]$ and $[\Delta_{L2,{\rm{exp}}}]$ values. (c) Calculated intensity ratio I_L3 and I_L2 as a function of different $[pd\sigma]$ 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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