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Optical Signatures of Defect Centers in Transition Metal Dichalcogenide Monolayers

Authors: Zeila Zanolli; Zeila Zanolli; Pedro Melo; Pedro Melo; Matthieu J. Verstraete;

Optical Signatures of Defect Centers in Transition Metal Dichalcogenide Monolayers

Abstract

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

Countries
Netherlands, Spain
Keywords

optical absorption, Nuclear and High Energy Physics, Optical absorption, Quantum dots, defect centers, transition metal dichalcogenides, FOS: Physical sciences, Statistical and Nonlinear Physics, quantum dots, Condensed Matter Physics, Transition metal dichalcogenides, Electronic, Optical and Magnetic Materials, Condensed Matter - Other Condensed Matter, Optical absortion, Computational Theory and Mathematics, Electrical and Electronic Engineering, Defect centers, Mathematical Physics, Other Condensed Matter (cond-mat.other)

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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