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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

Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…

We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density…

Materials Science · Physics 2015-06-18 David M. Guzman , Alejandro Strachan

We report a strain-induced direct-to-indirect band gap transition in mechanically deformed WS2 monolayers (MLs). The necessary amount of strain is attained by proton irradiation of bulk WS2 and the ensuing formation of one-ML-thick,…

Materials Science · Physics 2020-01-29 E. Blundo , M. Felici , T. Yildirim , G. Pettinari , D. Tedeschi , A. Miriametro , B. Liu , W. Ma , Y. Lu , A. Polimeni

Two-dimensional transition metal dichalcogenides show great potential as promising thermoelectric materials due to their lower dimensionality, the unique density of states and quantum confinement of carriers. The effect of mechanical strain…

Computational Physics · Physics 2019-05-28 Jayanta Bera , Satyajit Sahu

Monolayers of transition-metal dichalcogenides have shown that uniaxial strain changes both the photoluminescence emission energy and intensity. The changes are attributed to the band-structure evolution under tensile strain where both the…

Materials Science · Physics 2026-05-19 Lee Grimberg , Svyatoslav Kostyukovets , Moshe G. Harats

Since their discovery single-layer semiconducting transition metal dichalcogenides have attracted much attention thanks to their outstanding optical and mechanical properties. Strain engineering in these two-dimensional materials aims to…

Within a two-band $k\cdot p$ method we analyze different types of strain for the $K$ valley optical characteristics of a freestanding monolayer MoS$_2$, MoSe$_2$, WS$_2$ and WSe$_2$. We predict that circular polarization selectivity for…

Mesoscale and Nanoscale Physics · Physics 2018-10-23 Shahnaz Aas , Ceyhun Bulutay

Single layers of transition metal dichalcogenides, such as WSe$_2$ have gathered increasing attention due to their intense electron-hole interactions, being considered promising candidates for developing novel optical applications. Within…

Materials Science · Physics 2023-07-12 Fabio J. R. Costa , Thiago G-L. Brito , Ingrid D. Barcelos , Luiz Fernando Zagonel

The quasiparticle (QP) band structures of both strainless and strained monolayer MoS$_{2}$ are investigated using more accurate many body perturbation \emph{GW} theory and maximally localized Wannier functions (MLWFs) approach. By solving…

Materials Science · Physics 2013-04-10 Hongliang Shi , Hui Pan , Yong-Wei Zhang , Boris I. Yakobson

We report the influence of uniaxial tensile mechanical strain in the range 0-2.2% on the phonon spectra and bandstructures of monolayer and bilayer molybdenum disulfide (MoS2) two-dimensional crystals. First, we employ Raman spectroscopy to…

Mesoscale and Nanoscale Physics · Physics 2013-09-23 Hiram J. Conley , Bin Wang , Jed I. Ziegler , Richard F. Haglund , Sokrates T. Pantelides , Kirill I. Bolotin

Monolayers of transition metal dichalcogenides (TMdC) are promising candidates for realization of a new generation of optoelectronic devices. The optical properties of these two-dimensional materials, however, vary from flake to flake, or…

Materials Science · Physics 2020-01-22 Pavel V. Kolesnichenko , Qianhui Zhang , Changxi Zheng , Michael S. Fuhrer , Jeffrey A. Davis

Strain presents a straightforward tool to tune electronic properties of atomically thin nanomaterials that are highly sensitive to lattice deformations. While the influence of strain on the electronic band structure has been intensively…

Mesoscale and Nanoscale Physics · Physics 2017-07-26 Maja Feierabend , Alexandre Morlet , Gunnar Berghäuser , Ermin Malic

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures…

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

Strain is a powerful tool to modify the optical properties of semiconducting transition metal dichalcogenides like MoS2, MoSe2, WS2 and WSe2. In this work we provide a thorough description of the technical details to perform uniaxial strain…

Materials Science · Physics 2021-05-11 Felix Carrascoso , Hao Li , Riccardo Frisenda , Andres Castellanos-Gomez

There has been a massive growth in the study of transition metal dichalcogenides (TMDs) over the past decade, based upon their interesting and unusual electronic, optical and mechanical properties, such as tuneable and strain-dependent…

Applied Physics · Physics 2020-11-02 Fang Wang , Suhao Li , Mark A. Bissett , Ian A. Kinloch , Zheling Li , Robert J. Young

Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the…

Exploring how mechanical strain can modify the magnetic properties of low-dimensional structures is one of the priorities of straintronics, an area in condensed matter physics. It has been proven by calculating the parameters of magnetic…

Materials Science · Physics 2025-02-11 L. M. Volkova

Tuning physical properties of transition metal dichalcogenide (TMD) monolayers by strain engineering have most widely studied, and recently Janus TMD monolayer MoSSe has been synthesized. In this work, we systematically study biaxial strain…

Materials Science · Physics 2018-08-01 San-Dong Guo
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