Optical properties of charged defects in monolayer MoS₂
File(s)Aghajanian_2023_Electron._Struct._5_045012.pdf (1.61 MB)
Published version
Author(s)
Aghajanian, Martik
Mostofi, Arash A
Lischner, Johannes
Type
Journal Article
Abstract
We present theoretical calculations of the optical spectrum of monolayer MoS2 with a charged defect. In particular, we solve the Bethe–Salpeter equation based on an atomistic tight-binding model of the MoS2 electronic structure which allows calculations for large supercells. The defect is modelled as a point charge whose potential is screened by the MoS2 electrons. We find that the defect gives rise to new peaks in the optical spectrum approximately 100–200 meV below the first free exciton peak. These peaks arise from transitions involving in-gap bound states induced by the charged defect. Our findings are in good agreement with experimental measurements.
Date Issued
2023-12
Date Acceptance
2023-11-08
Citation
Electronic Structure, 2023, 5 (4)
ISSN
2516-1075
Publisher
IOP Publishing
Journal / Book Title
Electronic Structure
Volume
5
Issue
4
Copyright Statement
© 2023 The Author(s). Published by IOP Publishing Ltd Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
License URL
Identifier
http://dx.doi.org/10.1088/2516-1075/ad0abf
Publication Status
Published
Article Number
045012
Date Publish Online
2023-11-27