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Herein, we demonstrate that first-principles calculations can be used for mapping electronic properties of two-dimensional (2d) materials with respect to non-uniform strain. By investigating four representative single-layer 2d compounds…

Materials Science · Physics 2019-10-29 Kostiantyn V. Sopiha , Oleksandr I. Malyi , Clas Persson

Transition metal dichalcogenides (TMDs) are layered semiconductors with indirect band gaps comparable to Si. These compounds can be grown in large area, while their gap(s) can be tuned by changing their chemical composition or by applying a…

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…

Mesoscale and Nanoscale Physics · Physics 2014-03-05 Ning Lu , Hongyan Guo , Lei Li , Jun Dai , Lu Wang , Wai-Ning Mei , Xiaojun Wu , Xiao Cheng Zeng

Two dimensional materials such as graphene and transition metal dichalcogenides (TMDs) are promising for optical modulation, detection, and light emission since their material properties can be tuned on-demand via electrostatic doping. The…

InSe, a member of the layered materials family, is a superior electronic and optical material which retains a direct bandgap feature from the bulk to atomically thin few-layers and high electronic mobility down to a single layer limit. We,…

Atomically thin transition metal dichalcogenides (TMDs) have distinct opto-electronic properties including enhanced luminescence and high on-off current ratios, which can be further modulated by making more complex TMD heterostructures.…

Mesoscale and Nanoscale Physics · Physics 2020-01-28 Akshay Singh , Hae Yeon Lee , Silvija Gradecak

We report the influence of uniaxial tensile mechanical strain in the range 0-2.2% on the phonon spectra and bandstructures of monolayer and bilayer molybdenum disulfide (MoS2) two-dimensional crystals. First, we employ Raman spectroscopy to…

Mesoscale and Nanoscale Physics · Physics 2013-09-23 Hiram J. Conley , Bin Wang , Jed I. Ziegler , Richard F. Haglund , Sokrates T. Pantelides , Kirill I. Bolotin

Strain engineering is a very effective method to tune electronic, optical, topological and thermoelectric properties of materials. In this work, we systematically study biaxial strain dependence of electronic structures and thermoelectric…

Materials Science · Physics 2016-07-19 San-Dong Guo , Lun Zhang

Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…

Materials Science · Physics 2024-02-16 Stefan Velja , Jannis Krumland , Caterina Cocchi

Lattices of odd-layered two-dimensional (2D) transition metal dichalcogenides (TMDs) such as WSe2 are non-centrosymmetric, and thus could possess linear piezoelectricity that is attractive for applications such as nanoelectromechanical…

Materials Science · Physics 2018-08-10 Ehsan Nasr Esfahani , Terrance Li , Bevin Huang , Xiaodong Xu , Jiangyu Li

Strain engineering is an efficient tool to tune and tailor the electrical and optical properties of 2D materials. The built-in strain can be tuned during the synthesis process of a two dimensional semiconductor, as molybdenum disulfide, by…

Transition metal dichalcogenides (TMD) monolayers, holding potential as good sunlight absorbers, are promising materials for next-generation optoelectronic devices. They may enable ultrathin photovoltaic(PV) devices thanks to their…

Materials Science · Physics 2022-11-28 C. Attaccalite , M. S. Prete , M. Palummo , O. Pulci

Transition metal dichalcogenides (TMDs) are layered two-dimensional semiconductors explored for various optoelectronic applications, ranging from light-emitting diodes to single-photon emitters. To interact strongly with light, such devices…

Mesoscale and Nanoscale Physics · Physics 2024-07-15 Juri G. Crimmann , Moritz N. Junker , Yannik M. Glauser , Nolan Lassaline , Gabriel Nagamine , David J. Norris

Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…

Single photon emitters in atomically-thin semiconductors can be deterministically positioned using strain induced by underlying nano-structures. Here, we couple monolayer WSe$_2$ to high-refractive-index gallium phosphide dielectric…

Monolayer transition metal dichalcogenides (TMDs) are direct gap semiconductors emerging promising applications in diverse optoelectronic devices. To improve performance, recent investigations have been systematically focused on the tuning…

2D materials offer an ideal platform to study the strain fields induced by individual atomic defects, yet challenges associated with radiation damage have so-far limited electron microscopy methods to probe these atomic-scale strain fields.…

Two-dimensional Janus transition metal dichalcogenides (TMDs) have attracted attention due to their emergent properties arising from broken mirror symmetry and self-driven polarisation fields. While it has been proposed that their vdW…

Tuning the electronic properties of a material by subjecting it to strain constitutes an important strategy to enhance the performance of semiconducting electronic devices. Using local strain, confinement potentials for excitons can be…

Monolayer transition metal dichalcogenides are uniquely-qualified materials for photonics because they combine well defined tunable direct band gaps and selfpassivated surfaces without dangling bonds. However, the atomic thickness of these…

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