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We investigate electrical gating of photoluminescence and optical absorption in monolayer molybdenum disulfide (MoS$_2$) configured in field effect transistor geometry. We observe an hundredfold increase in photoluminescence intensity and…

Mesoscale and Nanoscale Physics · Physics 2012-11-19 A. K. M. Newaz , D. Prasai , J. I. Ziegler , D. Caudel , S. Robinson , R. F. Haglund , K. I. Bolotin

Using {\em ab initio} density functional theory calculations, we characterize changes in the electronic structure of MoS$_{2}$ monolayers introduced by missing or additional adsorbed sulfur atoms. We furthermore identify the chemical and…

Chemical Physics · Physics 2017-10-10 Anja Förster , Sibylle Gemming , Gotthard Seifert , David Tománek

We theoretically explore the effect of metal and disulphur vacancies on electronic and optical properties of MoS$_2$ and WS$_2$ monolayers based on a Slater-Koster tight-binding model and including the spin-orbit coupling. We show that the…

Mesoscale and Nanoscale Physics · Physics 2018-05-25 Saboura Salehi , Alireza Saffarzadeh

A simple perfect absorption structure is proposed to achieve the high efficiency light absorption of monolayer molybdenum disulfide (MoS 2 ) by the critical coupling mechanism of guided resonances. The results of numerical simulation and…

Optics · Physics 2018-09-11 Xiaoyun Jiang , Tao Wang , Shuyuan Xiao , Xicheng Yan , Le Cheng , Qingfang Zhong

We present a comprehensive optical study of thin films of tungsten disulfide (WS$_2$) with layer thicknesses ranging from mono- to octalayer and in the bulk limit. It is shown that the optical band-gap absorption of monolayer WS$_2$ is…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 Maciej R. Molas , Karol Nogajewski , Artur O. Slobodeniuk , Johannes Binder , Miroslav Bartos , Marek Potemski

We present an analytical investigation of the optical absorption spectrum of monolayer molybdenumdisulfide. Based on the density matrix formalism, our approach gives insights into the microscopic origin of excitonic transitions, their…

Materials Science · Physics 2014-03-24 Gunnar Berghäuser , Ermin Malic

The electronic properties of ultrathin crystals of molybdenum disulfide consisting of N = 1, 2, ... 6 S-Mo-S monolayers have been investigated by optical spectroscopy. Through characterization by absorption, photoluminescence, and…

Materials Science · Physics 2015-05-18 Kin Fai Mak , Changgu Lee , James Hone , Jie Shan , Tony F. Heinz

The possibility of spatially resolving the optical properties of atomically thin materials is especially appealing as they can be modulated at the micro- and nanoscale by reducing their thickness, changing the doping level or applying a…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andres Castellanos-Gomez , Jorge Quereda , Herko P. van der Meulen , Nicolás Agraït , Gabino Rubio-Bollinger

Defects usually play an important role in tuning and modifying various properties of semiconducting or insulating materials. Therefore we study the impact of point and line defects on the electronic structure and optical properties of MoS2…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Jens Kunstmann , Tsegabirhan B. Wendumu , Gotthard Seifert

Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…

Lattice defects and interfacial absorbates represent two extrinsic but ubiquitous factors that exert profound impacts on the luminescent properties of semiconductors. However, their impacts are normally tangled and remain to be separately…

Materials Science · Physics 2023-07-04 Ning Xu , Daocheng Hong , Xudong Pei , Jian Zhou , Fengqiu Wang , Peng Wang , Yuxi Tian , Yi Shi , Songlin Li

We present first-principles calculations of the optical response of monolayer molybdenum disulfide employing the GW-Bethe Salpeter equation (GW-BSE) approach including self-energy, excitonic, and electron-phonon effects. We show that…

Materials Science · Physics 2014-06-30 Diana Y. Qiu , Felipe H. da Jornada , Steven G. Louie

Two-dimensional (2D) semiconducting transition metal dichalcogenides such as MoS$_2$ have attracted extensive research interests for potential applications in optoelectronics, spintronics, photovoltaics, and catalysis. To harness the…

Materials Science · Physics 2020-07-01 Anne Marie Z. Tan , Christoph Freysoldt , Richard G. Hennig

Intrinsic defects govern carrier trapping and recombination in two-dimensional semiconductors, yet the microscopic origin of defect-dependent capture dynamics remains unclear. Here, we compute carrier capture coefficients of vacancy…

Strongly Correlated Electrons · Physics 2026-05-08 Srest Somay , Sitangshu Bhattacharya , Krishna Balasubramanian

Molybdenum disulfide, MoS2, has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each other. Therefore, mechanical exfoliation allows the…

Materials Science · Physics 2016-06-10 Alejandro Molina-Sánchez , Kerstin Hummer , Ludger Wirtz

Gas sensing mechanism of H2S, NH3, NO2 and NO toxic gases on transition metal dichalcogenides based Janus MoSSe monolayers are investigated using the density functional theory. The pristine and defect included MoSSe layers are considered as…

Materials Science · Physics 2020-01-08 Rajneesh Chaurasiya , Ambesh Dixit

The effects of chemical disorder on the electronic and optical properties of semiconductor alloy multilayers are studied based on the tight-binding theory and single-site coherent potential approximation. Due to the quantum confinement of…

Mesoscale and Nanoscale Physics · Physics 2010-06-03 Alireza Saffarzadeh , Leili Gharaee

The influence of atomic vacancy defects at different concentrations on electronic properties of MoS$_2$ and WS$_2$ monolayers is studied by means of Slater-Koster tight-binding model with non-orthogonal $sp^3d^5$ orbitals and including the…

Mesoscale and Nanoscale Physics · Physics 2016-05-30 Saboura Salehi , Alireza Saffarzadeh

We reveal numerically and experimentally that dielectric resonance can enhance the absorbance and emission of monolayer MoS$_2$. By quantifying the absorbance of the Si disk resonators and the monolayer MoS$_2$ separately, a model taking…

The light absorption and transmission of monolayer MoS$_{2}$ in a one-dimensional defective photonic crystal (d-1DPC) is theoretically investigated. The study shows that the strong interference effect decreases photon density in particular…

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