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The optical response of two-dimensional (2D) materials has been customarily calculated ab initio using plane waves and without separating the most important orbitals contributions. In the family of transition metal dichalcogenides (TMDC)…

Mesoscale and Nanoscale Physics · Physics 2025-12-30 Angiolo Huamán

Synthesized micro- and nanotubes composed of transition metal dichalcogenides (TMDCs) such as MoS$_2$ are promising for many applications in nanophotonics, because they combine the abilities to emit strong exciton luminescence and to act as…

Monolayer transition metal dichalcogenides (TMDs) have the potential to unlock novel photonic and chemical technologies if their optoelectronic properties can be understood and controlled. Yet, recent work has offered contradictory…

We study the effect of torsional deformations on the electronic properties of single-walled transition metal dichalcogenide (TMD) nanotubes. In particular, considering forty-five select armchair and zigzag TMD nanotubes, we perform…

Materials Science · Physics 2021-09-22 Arpit Bhardwaj , Abhiraj Sharma , Phanish Suryanarayana

Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps, and recent advances in the synthesis, characterization, and device fabrication of…

Materials Science · Physics 2015-02-04 Xin Zhang , Xiao-Fen Qiao , Wei Shi , Jiang-Bin Wu , De-Sheng Jiang , Ping-Heng Tan

Recent experimental studies of out-of-plane straining geometries of transition metal dichalchogenide (TMD) monolayers have demonstrated sufficient band gap renormalisation for device application such as single photon emitters. Here, a…

Mesoscale and Nanoscale Physics · Physics 2018-06-06 Matthew Brooks , Guido Burkard

Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron…

Remarkable optical and electrical properties of two-dimensional (2D) materials, such as graphene and transition-metal dichalcogenide (TMDC) monolayers, offer vast technological potential for novel and improved optoelectronic nanodevices,…

Optics · Physics 2016-07-22 Martin Weismann , Nicolae C. Panoiu

Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative new science that may be harnessed for novel device technologies. These materials are commonly…

Recent results on the optical properties of mono- and few-layers of semiconducting transition metal dichalcogenides are reviewed. Experimental observations are presented and discussed in the frame of existing models, highlighting the limits…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 M. Koperski , M. R. Molas , A. Arora , K. Nogajewski , A. O. Slobodeniuk , C. Faugeras , M. Potemski

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently been shown to demonstrate non-volatile resistive switching (NVRS), offering significant advantages such as high-density integration and low energy consumption due to…

Materials Science · Physics 2025-07-29 Brian H. Lee , Jameela Fatheema , Deji Akinwande , Wennie Wang

Two-dimensional (2D) materials and Transition Metal Dichalcogenides (TMD) in particular are at the forefront of nanotechnology. To tailor properties for engineering applications, alloying strategies used for bulk metals in the last century…

Materials Science · Physics 2022-12-14 Andrea Silva , Jiangming Cao , Tomas Polcar , Denis Kramer

Transition metal-intercalated transition metal dichalcogenides (TMDs) are promising platforms for next-generation spintronic devices based on their wide range of electronic and magnetic phases, which can be tuned by varying the host lattice…

Materials Science · Physics 2023-10-10 Berit H. Goodge , Oscar Gonzalez , Lilia S. Xie , D. Kwabena Bediako

The monolithic integration of electronics and photonics has attracted enormous attention due to its potential applications. However, the realization of such hybrid circuits has remained a challenge because it requires optical communication…

Structural colors generated due to light scattering from static all-dielectric metasurfaces have successfully enabled high-resolution, high-saturation and wide-gamut color printing applications. Despite recent advances, most demonstrations…

We study possible superconducting states in transition metal dichalcogenide (TMD) monolayers, assuming an on-site pairing potential that includes both intra- and inter-orbital terms. We find that if the mirror symmetry with respect to the…

Superconductivity · Physics 2021-09-24 Gilad Margalit , Erez Berg , Yuval Oreg

We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…

Materials Science · Physics 2025-05-12 S. Azadi , A. Azhar , R. V. Belosludov , T. D. Kühne , M. S. Bahramy

In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…

Materials Science · Physics 2019-04-17 Carlos M. O. Bastos , Rafael Besse , Juarez L. F. Da Silva , Guilherme M. Sipahi

In the past few years, phase-change materials have become increasingly important in nano-photonics and optoelectronics. The advantages of sizeable optical contrast between phases and the additional degree of freedom from phase switching…

Optics · Physics 2023-01-31 Daniel T. Yimam , Minpeng Liang , Jianting Ye , Bart J. Kooi

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