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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

Using hybrid density functional calculations including spin-orbit coupling, we compute the strain evolution of the band structure of monolayer 1H-phase transition-metal dichalcogenides, MX$_2$ (M= Mo, W; X= S, Se, Te), emphasizing an…

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

The optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculations based on density functional theory and the effective…

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…

Monolayer transition metal dichalcogenides (TMDs) are known to be highly sensitive to externally applied tensile or compressive strain. In particular, strain can be exploited as a tool to control the optical response of TMDs. However, the…

Mesoscale and Nanoscale Physics · Physics 2019-03-19 Zahra Khatibi , Maja Feierabend , Malte Selig , Samuel Brem , Christopher Linderälv , Paul Erhart , Ermin Malic

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…

Monolayers of transition metal dichalcogenides (TMDs) have a remarkable excitonic landscape with deeply bound bright and dark exciton states. Their properties are strongly affected by lattice distortions that can be created in a controlled…

Excitons in monolayer transition-metal dichalcogenides (TMDs) have garnered significant attention because of their large binding energies due to weakly screened Coulomb interaction, and direct bandgap at the K/K$^\prime$ point in the…

In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…

Materials Science · Physics 2024-01-18 Oguzhan Orhan , Şener Özönder , Soner Ozgen

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

Molybdenum disulfide (MoS$_2$) has attracted interest owing to its strain-tuned electronic and optical properties, making it a promising candidate for applications in strain engineering devices. In this study, we investigate the effect of…

Materials Science · Physics 2024-01-26 A. Setiawan , I. P. Handayani , E. Suprayoga

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 mechanical and electronic properties of transition metal dichalcogenide (TMD) monolayers corresponding to transition groups IV, VI, and X are explored under mechanical bending from first principles calculations using the strongly…

Materials Science · Physics 2019-07-19 Niraj K. Nepal , Liping Yu , Qimin Yan , Adrienn Ruzsinszky

We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…

Mesoscale and Nanoscale Physics · Physics 2016-10-14 Alexander J. Pearce , Eros Mariani , Guido Burkard

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 demonstrate the crossover from indirect- to direct band gap in tensile-strained germanium by temperature-dependent photoluminescence. The samples are strained microbridges that enhance a biaxial strain of 0.16% up to 3.6% uniaxial…

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

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…

When considering transition-metal dichalcogenides (TMDCs) in van der Waals (vdW) heterostructures for periodic ab-initio calculations, usually, lattice mismatch is present, and the TMDC needs to be strained. In this study we provide a…

Mesoscale and Nanoscale Physics · Physics 2019-11-20 Klaus Zollner , Paulo E. Faria Junior , Jaroslav Fabian
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