Extended Data Fig. 9: DFT + U simulated oxygen K-edge XAS spectra of AG and HPO phases. | Nature Materials

Extended Data Fig. 9: DFT + U simulated oxygen K-edge XAS spectra of AG and HPO phases.

From: Interstitial oxygen order and its competition with superconductivity in La2PrNi2O7+δ

Extended Data Fig. 9: DFT + U simulated oxygen K-edge XAS spectra of AG and HPO phases.

a-c, XAS spectra for three different oxygen sites. Note that the XAS plays the same role as EELS in dipole approximation. The prepeak of the HPO phase (marked by red arrow) shows a reduced energy and slightly increased intensity compared to that of the AG phase (marked by black arrow), consistent with EELS measurements.

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