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We used first-principles calculations to investigate the laterally stitched monolayered MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures. The structural stability of such heterostructures is confirmed by the phonon spectra exhibiting no…

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

The application of strain to 2D materials allows manipulating the electronic, magnetic, and thermoelectric properties. These physical properties are sensitive to slight variations induced by tensile and compressive strain and to the…

Materials Science · Physics 2023-06-14 J. W. González

In topological materials, dissipationless edge currents are protected against local defect scattering by the bulk inverted band structure and band gap. We propose that large uniaxial strain can effectively switch a 2D Chern insulator to a…

Strongly Correlated Electrons · Physics 2025-09-05 Joshua J. Sanchez , Raagya Aurora , Daniel Bennett , Daniel T. Larson , Efthimios Kaxiras , Riccardo Comin

The extraordinary mechanical properties of 2D TMDCs make them ideal candidates for investigating strain-induced control of various physical properties. Here we explore the role of non-uniform strain in modulating optical, electronic and…

The possibility of tailoring the critical strain of 2D materials will be crucial for the fabrication of flexible devices. In this paper, the fracture in polycrystalline MoS2 films with two different grain orientations is studied at the…

Applied Physics · Physics 2019-12-03 M. Sledzinska , G. Jumbert , M. Placidi , A. Arrighi , P. Xiao , F. Alzina , C. M. Sotomayor Torres

We report on a systematic study of the stress transferred from an electromechanical piezo-stack into GaAs wafers under a wide variety of experimental conditions. We show that the strains in the semiconductor lattice, which were monitored in…

Materials Science · Physics 2015-06-17 D. Butkovicova , X. Marti , V. Saidl , E. Schmoranzerova-Rozkotova , P. Wadley , V. Holy , P. Nemec

Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has…

Materials Science · Physics 2020-01-08 San-Dong Guo , Xiao-Shu Guo , Ye Deng

Using first-principles full-potential density functional calculations, we predict that mechanically tunable band-gap is realizable in ZnS monolayer in graphene-like honeycomb structure by application of in-plane homogeneous biaxial strain.…

Materials Science · Physics 2012-10-12 Harihar Behera , Gautam Mukhopadhyay

We evaluate the optical reflectivity for a uniaxially strained graphene single layer between a SiO2 substrate and air. A tight binding model for the band dispersion of graphene is employed. As a function of the strain modulus and direction,…

Mesoscale and Nanoscale Physics · Physics 2010-01-04 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

We describe a facile technique based on polymer encapsulation to apply several percent controllable strains to monolayer and few-layer Transition Metal Dichalcogenides (TMDs). We use this technique to study the lattice response to strain…

By using first-principles calculations, we investigated the monolayer $ReS_2$ with vacancies under strain engineering, specifically focusing on its energy of formation, band gap, electron density of states, effective mass and optical…

Materials Science · Physics 2016-11-28 Y. M. Min , L. Z. Liu

The effect of strain on the magnetic order and band structure of single-layer CrAsS$_4$ has been investigated by first-principles calculations based on density functional theory. We found that single-layer CrAsS$_4$ was an antiferromagnetic…

Materials Science · Physics 2021-10-01 Tengfei Hu , Wenhui Wan , Yanfeng Ge , Yong Liu

Graphene was deposited on a transparent and flexible substrate and tensile strain up to ~0.8% was loaded by stretching the substrate in one direction. Raman spectra of strained graphene show significant redshifts of 2D and G band (-27.8…

Materials Science · Physics 2008-10-21 Zhen Hua Ni , Ting Yu , Yun Hao Lu , Ying Ying Wang , Yuan Ping Feng , Ze Xiang Shen

Biaxial strain effects on electronic structures and thermoelectric properties of monolayer $\mathrm{PtTe_2}$ are investigated by using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC) for the electron part and GGA for…

Materials Science · Physics 2017-04-26 San-Dong Guo

Strain engineering is one of the most promising and effective routes toward continuously tuning the electronic and optic properties of materials, while thermal properties are generally believed to be insensitive to mechanical strain. In…

Mesoscale and Nanoscale Physics · Physics 2016-02-04 Han Xie , Tao Ouyang , Éric Germaneau , Guangzhao Qin , Ming Hu , Hua Bao

We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer and double-layer phosphorene structures in the long-wavelength limit within the linear elasticity theory. In the low energy limit,…

Mesoscale and Nanoscale Physics · Physics 2018-05-23 S. Saberi-Pouya , T. Vazifehshenas , M. Saleh , M. Farmanbar , T. Salavati-fard

Dynamic second-order nonlinear susceptibilities, $\chi^{(2)}(2\omega,\omega,\omega)\equiv \chi^{(2)}(\omega)$, are calculated here within a fully first-principles scheme for monolayered molybdenum dichalcogenides, $2H$-MoX$_2$ (X=S,Se,Te).…

Materials Science · Physics 2015-12-21 S. H. Rhim , Yong Soo Kim , A. J. Freeman

The realization of ordered strain fields in two-dimensional crystals is an intriguing perspective in many respects, including the instauration of novel transport regimes and the achievement of enhanced device performances. In this work, we…

Few-layer GaSe is one of the latest additions to the family of 2D semiconducting crystals whose properties under strain are still relatively unexplored. Here, we study rippled nanosheets that exhibit a periodic compressive and tensile…

Mesoscale and Nanoscale Physics · Physics 2019-03-07 David Maeso , Sahar Pakdel , Hernan Santos , Nicolas Agrait , Juan Jose Palacios , Elsa Prada , Gabino Rubio-Bollinger
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