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DFT-simulated XPS valence band spectra of hexagonal β-CuSCN obtained at (a) 1.486 keV (Al Kα1), (b) 4.068 keV, and (c) 8.133 keV ionizing photon energy. The dependence of the photoionisation cross-section on the ionising photon energy for the atomic orbitals is shown in (d).
