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Title: Optoelectronic response and excitonic properties of monolayer MoS{sub 2}

Abstract

Ab initio, electronic energy bands of MoS{sub 2} single layer are reported within the local density functional approximation. The inclusion of spin orbit coupling reveals the presence of two excitons A and B. We also discuss the change of physical properties of MoS{sub 2} from multilayer and bulk counterparts. The nature of the band gap changes from indirect to direct when the thickness is reduced to a single monolayer. The imaginary and real dielectric functions are investigated. Refractive index and birefringence are also reported. The results suggest that MoS{sub 2} is suitable for potential applications in optoelectronic and photovoltaic devices. The ab initio study is essential to propose the crucial parameters for the analytical model used for A-B exciton properties of the monolayer MoS{sub 2}. From a theoretical point of view, we consider how the exciton behavior evolves under environmental dielectrics.

Authors:
 [1];  [1];  [2];  [1];  [2]
  1. Laboratoire de Physique de la Matière Condensée, Faculté des Sciences de Tunis, Université Tunis El Manar Campus Universitaire, 2092 (Tunisia)
  2. (Tunisia)
Publication Date:
OSTI Identifier:
22597794
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 120; Journal Issue: 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; APPROXIMATIONS; BIREFRINGENCE; DENSITY FUNCTIONAL METHOD; DIELECTRIC MATERIALS; EXCITONS; LAYERS; L-S COUPLING; MOLYBDENUM SULFIDES; PHOTOVOLTAIC EFFECT; REFRACTIVE INDEX; SILICON OXIDES; SPIN; THICKNESS

Citation Formats

Ben Amara, Imen, Ben Salem, Emna, E-mail: bensalem-emna@yahoo.fr, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, 2, Rue Jawaher Lel Nahrou-Monfleury, 1008 Tunis, Jaziri, Sihem, and Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Jarzouna. Optoelectronic response and excitonic properties of monolayer MoS{sub 2}. United States: N. p., 2016. Web. doi:10.1063/1.4958948.
Ben Amara, Imen, Ben Salem, Emna, E-mail: bensalem-emna@yahoo.fr, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, 2, Rue Jawaher Lel Nahrou-Monfleury, 1008 Tunis, Jaziri, Sihem, & Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Jarzouna. Optoelectronic response and excitonic properties of monolayer MoS{sub 2}. United States. doi:10.1063/1.4958948.
Ben Amara, Imen, Ben Salem, Emna, E-mail: bensalem-emna@yahoo.fr, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, 2, Rue Jawaher Lel Nahrou-Monfleury, 1008 Tunis, Jaziri, Sihem, and Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Jarzouna. Sun . "Optoelectronic response and excitonic properties of monolayer MoS{sub 2}". United States. doi:10.1063/1.4958948.
@article{osti_22597794,
title = {Optoelectronic response and excitonic properties of monolayer MoS{sub 2}},
author = {Ben Amara, Imen and Ben Salem, Emna, E-mail: bensalem-emna@yahoo.fr and Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, 2, Rue Jawaher Lel Nahrou-Monfleury, 1008 Tunis and Jaziri, Sihem and Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Jarzouna},
abstractNote = {Ab initio, electronic energy bands of MoS{sub 2} single layer are reported within the local density functional approximation. The inclusion of spin orbit coupling reveals the presence of two excitons A and B. We also discuss the change of physical properties of MoS{sub 2} from multilayer and bulk counterparts. The nature of the band gap changes from indirect to direct when the thickness is reduced to a single monolayer. The imaginary and real dielectric functions are investigated. Refractive index and birefringence are also reported. The results suggest that MoS{sub 2} is suitable for potential applications in optoelectronic and photovoltaic devices. The ab initio study is essential to propose the crucial parameters for the analytical model used for A-B exciton properties of the monolayer MoS{sub 2}. From a theoretical point of view, we consider how the exciton behavior evolves under environmental dielectrics.},
doi = {10.1063/1.4958948},
journal = {Journal of Applied Physics},
number = 5,
volume = 120,
place = {United States},
year = {Sun Aug 07 00:00:00 EDT 2016},
month = {Sun Aug 07 00:00:00 EDT 2016}
}