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Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…

Materials Science · Physics 2015-06-15 Mohamed Boukhicha , Matteo Calandra , Marie-Aude Measson , Ophelie Lancry , Abhay Shukla

There is a substantial interest in the heterostructures of semiconducting transition metal dichalcogenides (TMDCs) amongst each other or with arbitrary materials, through which the control of the chemical, structural, electronic,…

Monolayers of transition metal dichalcogenides (TMDs) have a remarkable excitonic landscape with deeply bound bright and dark exciton states. Their properties are strongly affected by lattice distortions that can be created in a controlled…

MoS2 and WS2 layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct band gap materials. Layered structures of that kind can be…

Materials Science · Physics 2013-02-15 Nourdine Zibouche , Agnieszka Kuc , Thomas Heine

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Materials Science · Physics 2025-08-15 A. F. Gómez-Bastidas , Karthik Sriram , A. C. Garcia-Castro , Oleg Rubel

We detect thermally excited surfaces waves on a submicron SiO 2 layer, including Zenneck and guided modes in addition to Surface Phonon Polaritons. The measurements show the existence of these hybrid thermal-electromagnetic waves from…

The discovery of graphene has put the spotlight on other layered materials including transition metal dichalcogenites (TMD) as building blocks for novel heterostructures assembled from stacked atomic layers. Molybdenum disulfide, MoS2, a…

Mesoscale and Nanoscale Physics · Physics 2014-09-19 Chih-Pin Lu , Guohong Li , Jinhai Mao , Li-Min Wang , Eva Y. Andrei

The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal,…

Materials Science · Physics 2022-06-15 Cheng-Hsien Yang , Shu-Tong Chang

Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), are expected to be promising for next generation device applications. The existence of sulfur vacancies formed in MoS2, however, will potentially make devices…

Materials Science · Physics 2016-12-23 Nan Fang , Kosuke Nagashio , Akira Toriumi

Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…

The interlayer coupling in van der Waals heterostructures governs a variety of optical and electronic properties. The intrinsic dipole moment of Janus transition metal dichalcogenides (TMDs) offers a simple and versatile approach to tune…

Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate interactions. Such interactions can induce excess charge…

We investigate excitons in stacked transition metal dichalcogenide (TMDC) layers under perpendicularly applied electric field, herein MoSe$_2$/WSe$_2$ van der Waals heterostructures. Band structures are obtained with density functional…

Mesoscale and Nanoscale Physics · Physics 2018-09-19 A. Chaves , J. G. Azadani , V. Ongun Özçelik , R. Grassi , T. Low

Assessing atomic defect states and their ramifications on the electronic properties of two dimensional van der Waals semiconducting transition metal dichalcogenides (SC TMDs) is the primary task to expedite multi disciplinary efforts in the…

The one-dimensional metallic states that appear at the zigzag edges of semiconducting two-dimensional transition metal di-chalcogenides (TMDCs) result from the intrinsic electric polarization in these materials, which for D$_{3h}$ symmetry…

Materials Science · Physics 2020-10-28 Sridevi Krishnamurthi , Mojtaba Farmanbar , Geert Brocks

The success of isolating small flakes of atomically thin layers through mechanical exfoliation has triggered enormous research interest in graphene and other two-dimensional materials. For device applications, however, controlled large-area…

Materials Science · Physics 2014-07-17 Yingnan Liu , Rudresh Ghosh , Di Wu , Ariel Ismach , Rodney Ruoff , Keji Lai

Ultraflat bands in twisted bilayers of two-dimensional materials have potential to host strong correlations, including the Mott-insulating phase at half-filling of the band. Using first principles density functional theory calculations, we…

Materials Science · Physics 2019-01-02 Mit H. Naik , Manish Jain

Transition Metal Dichalcogenides (TMD) are layered materials obtained by stacking two-dimensional sheets weakly bonded by van der Waals interactions. In bulk TMD, band dispersions are observed in the direction normal to the sheet plane…

We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…

Mesoscale and Nanoscale Physics · Physics 2016-01-19 Csaba G. Péterfalvi , Andor Kormányos , Guido Burkard

Dislocations in van der Waals materials are linear defects confined to the interfaces between consecutive stoichiometric monolayers of a bulk layered crystal. Here, we present a mesoscale model for the description of interlayer dislocations…

Mesoscale and Nanoscale Physics · Physics 2024-09-19 Isaac Soltero , Vladimir I. Fal'ko
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