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. 2022 Dec 8;126(50):21453–21466. doi: 10.1021/acs.jpcc.2c06879

Figure 1.

Figure 1

Simulated and experimental O K-edge for BFO along the [001] direction. A fixed Gaussian broadening of 0.12 eV was used for the simulated spectra. The simulated spectra have been grouped according to an equal weighting over a single unit cell; when the beam propagates along the b⃗ direction, this leads to the columns consisting of FeO (longitudinal environment) or just of O (equatorial environment)—see Figure 2. All simulated spectra were normalized against the whole unit cell average.