Optical signatures of defect centers in transition metal dichalcogenide monolayers
Melo, Pedro Miguel M. C. de (Université de Liège. Complex and Entangled Systems from Atoms to Materials)
Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia)
Verstraete, Matthieu J. (Université de Liège. Complex and Entangled Systems from Atoms to Materials)

Date:	2021
Abstract:	Even 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.
Grants:	European Commission 824143 European Commission 730897 European Commission 654360 European Commission 653838 European Commission 312763 Ministerio de Economía y Competitividad SEV-2017-0706 Ministerio de Economía y Competitividad RYC-2016-19344 Ministerio de Economía y Competitividad FIS2015-64886-C5-3-P Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-1506
Note:	Altres ajuts: this publication is based upon work of the MELODICA project, funded by the EU FLAG-ERA_JTC2017 call. The authors thankfully acknowledge the computer resources at Mare Nostrum technical support provided by the Barcelona Supercomputing Center (Spanish Supercomputing Network, RES). This publication is also based upon work from COST Action TUMIEE (CA17126), supported by COST (European Cooperation in Science and Technology).
Rights:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Defect centers ; Optical absorption ; Transition metal dichalcogenides ; Quantum dots
Published in:	Advanced Quantum Technologies, Vol. 4, issue 3 (March 2021) , art. 2000118, ISSN 2511-9044

DOI: 10.1002/qute.202000118

8 p, 1.7 MB

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Research literature > UAB research groups literature > Research Centres and Groups (research output) > Experimental sciences > Catalan Institute of Nanoscience and Nanotechnology (ICN2)
Articles > Research articles
Articles > Published articles