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Related papers: Interlayer Resistance of Misoriented MoS2

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We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a…

Mesoscale and Nanoscale Physics · Physics 2013-09-04 Habib Rostami , Ali G. Moghaddam , Reza Asgari

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…

Materials Science · Physics 2016-01-18 Junwen Li , Nikhil V. Medhekar , Vivek B. Shenoy

We use first-principles calculations to investigate the band structure evolution of W$X_2$/Mo$X_2$ ($X$ = S, Se) heterobilayers under a perpendicular electric field. We characterize the extent to which the type-II band alignment in these…

Mesoscale and Nanoscale Physics · Physics 2016-12-28 Dennis Huang , Efthimios Kaxiras

In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…

Materials Science · Physics 2026-05-14 Maciej Bazarnik , Thorsten Deilmann , Marta Przychodnia , Anika Schlenhoff

We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…

Mesoscale and Nanoscale Physics · Physics 2015-05-05 Thomas Brumme , Matteo Calandra , Francesco Mauri

The low-energy band structure of few-layer MoS$_2$ is relevant for a large variety of experiments ranging from optics to electronic transport. Its characterization remains challenging due to complex multi band behavior. We investigate the…

Mesoscale and Nanoscale Physics · Physics 2021-04-30 M. Masseroni , T. Davatz , R. Pisoni , F. K. de Vries , P. Rickhaus , T. Taniguchi , K. Watanabe , V. Fal'ko , T. Ihn , K. Ensslin

Piezoelectricity appears in the inversion asymmetric crystal that converts mechanical deformational force to electricity. Two-dimensional transition metal dichalcolgenide (TMDC) monolayers exhibit the piezoelectric effect due to the…

Applied Physics · Physics 2019-12-13 Sheng Yu , Quinton Rice , Tikaram Neupane , Bagher Tabibi , Felix Jaetae Seo

The thickness-dependent band structure of MoS2 implies that discontinuities in energy bands exist at the interface of monolayer (1L) and multilayer (ML) thin films. The characteristics of such heterojunctions are analyzed here using current…

Monolayer transition metal dichalcogenides are promising materials for photoelectronic devices. Among them, molybdenum disulphide (MoS$_2$) and tungsten disulphide (WS$_2$) are some of the best candidates due to their favorable band gap…

Materials Science · Physics 2015-06-19 Luqing Wang , Alex Kutana , Boris I. Yakobson

Emergent strongly-correlated electronic phenomena in atomically-thin transition metal dichalcogenides are an exciting frontier in condensed matter physics, with examples ranging from bilayer superconductivity~\cite{zhao2023evidence} and…

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

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

A mismatch of atomic registries between single-layer transition metal dichalcogenides (TMDs) in a two dimensional van der Waals heterostructure produces a moir\'e superlattice with a periodic potential, which can be fine-tuned by…

Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have emerged as promising materials for electronic, optoelectronic, and valleytronic applications. Recent work suggests drastic changes of the band gap and exciton binding…

Mesoscale and Nanoscale Physics · Physics 2017-08-02 Eric Parzinger , Martin Hetzl , Ursula Wurstbauer , Alexander W. Holleitner

The possibility of the formation of an electron-hole liquid in the type II heterostructures based on monolayers (bilayers) of transition metal dichalcogenides is considered. It is indicated that additional valleys in the conduction band,…

Mesoscale and Nanoscale Physics · Physics 2022-06-22 Pavel V. Ratnikov

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

The emergence of transition metal dichalcogenides (TMDs) as 2D electronic materials has stimulated proposals of novel electronic and photonic devices based on TMD heterostructures. Here we report the determination of band offsets in TMD…

In heterostructures consisting of different transition-metal dichalcogenide monolayers, a staggered band alignment can occur, leading to rapid charge separation of optically generated electron-hole pairs into opposite monolayers. These…

Monolayer transition metal dichalcogenides recently emerge as a new family of two-dimensional material potentially suitable for numerous applications in electronic and optoelectronic devices due to the presence of finite band gap. Many…

Materials Science · Physics 2014-01-21 Yongqing Cai , Zhaoqiang Bai , Hui Pan , Yuan Ping Feng , Boris I. Yakobson , Yong-Wei Zhang

Lattice reconstruction and corresponding strain accumulation play a key role in defining the electronic structure of two-dimensional moir\'e superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moir\'es…