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We report a new dark exciton in monolayer MoS$_2$ using second harmonic generation spectroscopy. Hereby, the spectrally dependent second harmonic generation intensity splits into two branches, and an anticrossing is observed at $\sim$ 25…

Mesoscale and Nanoscale Physics · Physics 2024-08-22 Chenjiang Qian , Viviana Villafañe , Pedro Soubelet , Peirui Ji , Andreas V. Stier , Jonathan J. Finley

Two-dimensional (2D) materials beyond graphene such as transition metal dichalcogenides (TMDs) have unique mechanical, optical and electronic properties with promising applications in flexible devices, catalysis and sensing. Optical imaging…

Ultrathin transition metal dichalcogenides (TMDCs) of Mo and W show great potential for digital electronics and optoelectronic applications. Whereas early studies were limited to mechanically exfoliated flakes, the large-area synthesis of…

Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal…

It is well-known that exciton effects are determinant to understand the optical absorption spectrum of low-dimensional materials. However, the role of excitons in nonlinear optical responses has been much less investigated at an…

Mesoscale and Nanoscale Physics · Physics 2024-06-21 J. J. Esteve-Paredes , M. A. García-Blázquez , A. J. Uría-Álvarez , M. Camarasa-Gómez , J. J. Palacios

Using accurate first-principles calculations based on many-body perturbation theory we predict that two-dimensional MoS$_2$ hosts edge excitons with universal character, intrinsic to the existence of edges and lying well below the onset of…

Mesoscale and Nanoscale Physics · Physics 2020-05-06 Pino D'Amico , Marco Gibertini , Deborah Prezzi , Daniele Varsano , Andrea Ferretti , Nicola Marzari , Elisa Molinari

Excitons in 2D material bubbles-nanoscale deformations in atomically thin materials, typically exhibiting a dome-like shape-are confined by the strain effect, exhibiting extraordinary emission properties, such as single photon generation,…

We review vibrational and electronic properties of single and a few layer MoS$_2$ relevant to understand their resonant and non-resonant Raman scattering results. In particular, the optical modes and low frequency shear and layer breathing…

Mesoscale and Nanoscale Physics · Physics 2015-02-13 Achintya Bera , A. K. Sood

Transmission electron microscopy and spectroscopy currently enable the acquisition of spatially resolved spectral information from a specimen by focusing electron beams down to a sub-Angstrom spot and then analyzing the energy of the…

Materials Science · Physics 2022-09-12 Andrea Konečná , Fadil Iyikanat , F. Javier García de Abajo

The large tunability of band gaps and optical absorptions of armchair MoS$_2$ nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe-Salpeter equation approaches. We…

Computational Physics · Physics 2022-11-02 Hong Tang , Bimal Neupane , Santosh Neupane , Shiqi Ruan , Niraj K. Nepal , Adrienn Ruzsinszky

Monolayer MoS$_2$ has emerged as an interesting material for nanoelectronic and optoelectronic devices. The effect of substrate screening and defects on the electronic structure of MoS$_2$ are important considerations in the design of such…

Materials Science · Physics 2018-09-05 Mit H. Naik , Manish Jain

The optical response of semiconducting monolayer transition-metal dichalcogenides (TMDCs) is dominated by strongly bound excitons that are stable even at room temperature. However, substrate-related effects such as screening and disorder in…

Defects in crystals can have a transformative effect on the properties and functionalities of solid-state systems. Dopants in semiconductors are core components in electronic and optoelectronic devices. The control of single color centers…

Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via stacking, twisting, or straining. Using ab initio Many-Body…

Mesoscale and Nanoscale Physics · Physics 2025-03-21 R. Reho , A. R. Botello-Méndez , D. Sangalli , M. J. Verstraete , Zeila Zanolli

Optical quantum emitters are a key component of quantum devices for metrology and information processing. In particular, atomic defects in 2D materials can operate as optical quantum emitters that overcome current limitations of…

Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…

Mesoscale and Nanoscale Physics · Physics 2016-06-06 Alejandro Molina-Sánchez , Maurizia Palummo , Andrea Marini , Ludger Wirtz

Atomic scale defects in semiconductors enable their technological applications and realization of novel quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab-initio calculations we determine the nature of…

Chalcogen vacancies in transition metal dichalcogenides are widely acknowledged as both donor dopants and as a source of disorder. The electronic structure of sulphur vacancies in MoS2 however is still controversial, with discrepancies in…

Several monolayer transition metal dichalcogenides (TMDs) are direct band gap semiconductors and potentially efficient emitters in light emitting devices. Photons are emitted when strongly bound excitons decay radiatively, and accurate…

Point defects, local strain or impurities can crucially impact the optical response of atomically thin two-dimensional materials as they offer trapping potentials for excitons. These trapped excitons appear in photoluminescence spectra as…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Maja Feierabend , Samuel Brem , Ermin Malic
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