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The optical properties of two-dimensional transition metal dichalcogenide monolayers such as MoS$_2$ or WSe$_2$ are dominated by excitons, Coulomb bound electron-hole pairs. Screening effects due the presence of hexagonal-BN surrounding…

Materials Science · Physics 2018-12-26 Iann C. Gerber , Xavier Marie

A detailed first-principle study has been performed to evaluate the electronic and optical properties of single-layer (SL) transition metal dichalcogenides (TMDCs) (MX${}_2$; M= transition metal such as Mo, W and X= S, Se, Te), in the…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 M. A. Khan , Mikhail Erementchouk , Joshua Hendrickson , Michael N. Leuenberger

Van der Waals (vdW) heterostructures synthesized through the chemical vapor deposition (CVD) method allow creation and tuning of intriguing electronic and optical properties of two- dimensional (2D) materials, the knowledge of which is…

Mesoscale and Nanoscale Physics · Physics 2018-08-17 Fan Zhang , Zhixing Lu , Yichul Choi , Haining Liu , Husong Zheng , Liming Xie , Kyungwha Park , Liying Jiao , Chenggang Tao

Transition metal dichalcogenide (TMD) monolayers (MLs) exhibit rich photoluminescence spectra associated with interband optical transitions of direct-gap semiconductors. Upon absorption of photons, direct excitons with zero center-of-mass…

Monolayer SnS2 has emerged as a promising visible-light photocatalyst for photoelectrochemical applications, owing to its strong optical absorption in the visible range and excellent chemical stability. Despite its reduced dimensionality -…

Mesoscale and Nanoscale Physics · Physics 2026-04-29 Vinicius Alves Bastos , Fulvio Paleari , Eleonora Luppi , Marco Gibertini , Alice Ruini

Semiconducting Transition Metal Dichalcogenides (TMDs) have significant nonlinear optical effects. In this work we have used second-harmonic generation (SHG) and the four-wave mixing (FWM) spectroscopy in resonance with the excitons in…

We study spatial photoluminescence characteristics of neutral and charged excitons across extended monolayer MoS$_2$ synthesized by chemical vapor deposition. Using two-dimensional hyperspectral photoluminescence mapping at cryogenic…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 Andre Neumann , Jessica Lindlau , Manuel Nutz , Aditya D. Mohite , Hisato Yamaguchi , Alexander Högele

Excitons govern the light-matter interaction in 2D gapped materials with intrinsically large binding energies. In spite of plentiful optical measurements in the visible for semiconducting transition-metal dichalcogenides, we still lack…

Atomically thin two-dimensional (2D) transition metal dichalcogenides (TMDs), such as MoS$_2$, are promising candidates for nanoscale photonics because of strong-light matter interactions. However, Fermi level pinning due to metal-induced…

Mesoscale and Nanoscale Physics · Physics 2023-03-07 Hon-Loen Sinn , Aravindh Kumar , Eric Pop , Akm Newaz

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transiti on metal dichalcogenides, specifically MoS$_2$-WSe$_2$…

Materials Science · Physics 2016-03-23 Bin Amin , Thaneshwor P. Kaloni , Georg Schreckenbach , Michael S. Freund

Many monolayer transition metal dichalcogenides, including MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, are direct bandgap two-dimensional (2D) semiconductors with sharp optical resonances at excitonic bound state frequencies. Recent experiments…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 Tobias M. R. Wolf , Tian Xie , Chenhao Jin , Allan H. MacDonald

In the last decade atomically thin 2D materials have emerged as a perfect platform for studying and tuning light-matter interaction and electronic properties in nanostructures. The optoelectronic properties in layered materials such as…

Mesoscale and Nanoscale Physics · Physics 2024-10-07 Roberto Rosati , Ioannis Paradisanos , Ermin Malic , Bernhard Urbaszek

Exciton spectra of monolayer transition metal dichalcogenides (TMDs) in various dielectric environments are studied. The screened hydrogen model (SHM) [Phys. Rev. Lett. 116, 056401 (2016)] is examined by comparing its exciton spectra with…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 Jian-zhong Zhang , Jin-zhong Ma

Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…

We substitute individual Pt atoms into monolayer MoS$_2$ and study the resulting atomic structures with single-sideband (SSB) ptychography supported by ab initio simulations. We demonstrate that while high-angle annular dark-field (HAADF)…

Strain-engineered transition-metal dichalcogenide nanobubbles are promising platforms for quantum emission, as revealed by recent experimental observations. In this work, we present an \textit{ab initio} investigation of MoS$_2$, WS$_2$,…

Mesoscale and Nanoscale Physics · Physics 2026-02-25 Stefan Velja , Alexander Steinhoff , Jannis Krumland , Christopher Gies , Caterina Cocchi

Mott transition has been realized in atomically thin monolayer (ML) of two dimensional semiconductors (WS$_2$) via optically excited carriers above a critical carrier density through many body interactions. The above nonlinear optical…

Materials Science · Physics 2021-10-12 Shreyasi Das , Rup K. Chowdhury , Debjani Karmakar , Soumen Das , Samit K. Ray

Excitons and plasmons are the two most fundamental types of collective electronic excitations occurring in solids. Traditionally, they have been studied separately using bulk techniques that probe their average energetic structure over…

Structural defects are widely regarded as detrimental to the optoelectronic properties of monolayer transition metal dichalcogenides, leading to concerted efforts to eliminate defects via improved materials growth or post-growth…

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