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(a) CuBiSeCl2 valence band DoS, calculated using the HSE06 functional with additional SOC contributions and broadened to account for realistic photoemission processes, plotted with valence band XPS data experimentally measured on CuBiSeCl2 powder. (b) Band alignments of CuBiSeCl2 in comparison with optical absorbers with similar chemistries, CZTS and CIGS. The conduction band and valence band states are colored red and blue, respectively.
