Fig. 16: Defect tolerances for vacancy and antisite defects.
From: Quantum point defects in 2D materials - the QPOD database
Position of defect charge transition levels as a function of Fermi energy (normalized with respect to the band gap) for antisite defects (orange squares) and vacancies (blue dots). Top (bottom): histogram of the occurance of a CTL for vacancies (antisites) within a certain energy range. If a defect’s CTL lies above 0.9/below 0.1 (dashed black vertical lines in the middle plot) it corresponds to a CTL not having a detrimental effect on the host’s properties. Materials with these CTL are considered defect-tolerant wrt. optical properties. The grey areas on the left and right hand side represent the valence band and conduction band, respectively.
