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Figure 6
(a) Electronic band structure and atom-projected density of states of α-As4S4 in the energy range ±10 eV. (b) Evolution of the band gap with pressure (this work, black squares). Experimental (red circles) and theoretical data at the DFT/PBE level of theory (blue triangles) from Hejny et al. (2012BB22) are shown for comparison.

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