Line Plot from Scientific Research

Calculated formation energies of intrinsic point defects in Sb2Se3 under chemical potentials that represent Sb-rich growth conditions. The charge state is denoted by the slope of the solid line, and the thermodynamic transition level corresponds to the filled circle. The valence band maximum (VBM) is set to 0 eV, and the conduction band minimum (CBM) is obtained from the calculated fundamental (indirect) band gap of 1.42 eV by the HSE06 functional. The self-consistent Fermi levels are indicated by vertical dashed lines. The numbers in the legend represent different inequivalent sites.

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