Optical Signatures of Defect Centers in Transition Metal Dichalcogenide Monolayers

Even the best quality 2D materials have non-negligible concentrations of vacancies and impurities. It is critical to understand quantify how defects change intrinsic properties, use this knowledge generate functionality. This challenge can be addressed by employing many-body perturbation theory obtain optical absorption spectra defected transition metal dichalcogenides. Herein vacancies, which are largely unreported, show a larger set polarized excitons than chalcogenide introducing localized in sub-optical-gap region, whose wave functions make them good candidates as quantum emitters. Despite strong interaction with substitutional defects, spin texture pristine exciton energies preserved, enabling grafting patterning detectors, full optical-gap region remains available. A redistribution excitonic weight between B visible both cases may allow quantification defect concentration. work establishes signatures characterize highlights qubit for computing.