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We have examined the electronic structure evolution in transition metal dichalcogenides MX$_2$, where M=Mo,W and X=S,Se and Te. These are generally referred to as van der Waals heterostructures on the one hand, yet one has band gap changes…

Mesoscale and Nanoscale Physics · Physics 2024-02-02 S. K. Pandey , Ruma Das , Priya Mahadevan

We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…

Mesoscale and Nanoscale Physics · Physics 2013-09-12 Hannu-Pekka Komsa , Arkady V. Krasheninnikov

Two-dimensional (2D) materials have recently been the focus of extensive research. By following a similar trend as graphene, other 2D materials including transition metal dichalcogenides (MX2) and metal mono-chalcogenides (MX) show great…

In Bernal stacked bilayer graphene interlayer coupling significantly affects the electronic bandstructure compared to monolayer graphene. Here we present magnetotransport experiments on high-quality $n$-doped bilayer MoS$_{2}$. By measuring…

Mesoscale and Nanoscale Physics · Physics 2019-09-18 Riccardo Pisoni , Tim Davatz , Kenji Watanabe , Takashi Taniguchi , Thomas Ihn , Klaus Ensslin

Vertical and lateral heterostructures of van der Waals materials provide tremendous flexibility for band structure engineering. Since electronic bands are sensitively affected by defects, strain, and interlayer coupling, the edge and…

We directly measure the electronic structure of twisted graphene/MoS2 van der Waals heterostructures, in which both graphene and MoS2 are monolayers. We use cathode lens microscopy and microprobe angle-resolved photoemission spectroscopy…

The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of…

Mesoscale and Nanoscale Physics · Physics 2023-12-19 Sergio Bravo , P. A. Orellana , L. Rosales

Van der Waals (vdW) coupling is emerging as a powerful method to engineer and tailor physical properties of atomically thin two-dimensional (2D) materials. In graphene/graphene and graphene/boron-nitride structures it leads to interesting…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Kaihui Liu , Liming Zhang , Ting Cao , Chenhao Jin , Diana Qiu , Qin Zhou , Alex Zettl , Peidong Yang , Steve G. Louie , Feng Wang

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed…

Mesoscale and Nanoscale Physics · Physics 2018-01-18 Y. M. Jaques , P. Manimunda , Y. Nakanishi , S. Susarla , C. F. Woellner , S. Bhowmick , S. A. S. Asif , D. S. Galvão , C. S. Tiwary , P. M. Ajayan

In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron-phonon interactions occur primarily…

The electronic and thermoelectric properties of one to four monolayers of MoS$_{2}$, MoSe$_{2}$, WS$_{2}$, and WSe$_{2}$ are calculated. For few layer thicknesses,the near degeneracies of the conduction band $K$ and $\Sigma$ valleys and the…

Materials Science · Physics 2014-04-03 Darshana Wickramaratne , Ferdows Zahid , Roger K. Lake

The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…

Materials Science · Physics 2019-06-27 Suk Hyun Sung , Noah Schnitzer , Lola Brown , Jiwoong Park , Robert Hovden

Molybdenum disulfide (MoS$_2$), a layered van der Waals material, has attracted considerable attention as a promising alternative to graphene for applications in field-effect transistors and nanophotonic devices because of its sizable band…

Materials Science · Physics 2026-04-16 Shunsuke Hirai , Ibuki Terada , Michi-To Suzuki

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Mesoscale and Nanoscale Physics · Physics 2016-10-03 Morteza Kayyalha , Jesse Maassen , Mark Lundstrom , Li Shi , Yong P. Chen

Tunability of interfacial effects between two-dimensional (2D) crystals is crucial not only for understanding the intrinsic properties of each system, but also for designing electronic devices based on ultra-thin heterostructures. A…

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

Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal…

Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…

Materials Science · Physics 2014-03-13 Weijie Zhao , Zohreh Ghorannevis , Leiqiang Chua , Minglin Toh , Christian Kloc , Ping-Heng Tan , Goki Eda
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