Biaxial versus uniaxial strain tuning of single-layer MoS2

Carrascoso, Félix; Frisenda, Riccardo; Castellanos-Gómez, Andrés

doi:10.1016/j.nanoms.2021.03.001

Cited by 41 publications

(32 citation statements)

References 71 publications

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“…We note that the gauge factor for biaxial strain is approximately twice the value of the gauge factor of uniaxial strain reported in experiments. 4,14,56–58…”

Section: Resultsmentioning

confidence: 99%

“…We note that the gauge factor for biaxial strain is approximately twice the value of the gauge factor of uniaxial strain reported in experiments. 4,14,[56][57][58] We summarize in Fig. 1(f ) the dependence of the exciton energy on the dielectric constant of the substrate and for different values of the biaxial strain (0% and 1.3%).…”

Section: Shg Pl and Raman Characterizationmentioning

confidence: 99%

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Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

et al. 2022

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“…We note that the gauge factor for biaxial strain is approximately twice the value of the gauge factor of uniaxial strain reported in experiments. 4,14,56–58…”

Section: Resultsmentioning

confidence: 99%

Section: Shg Pl and Raman Characterizationmentioning

confidence: 99%

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

et al. 2022

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“…At such high values, the band gap can be effectively red-shifted by ∼100 meV. While most of the works have been devoted to the study of particular case of the in-plane uniaxial tensile for monolayers, ,,,− the amount of works studying monolayers and multilayers in the biaxial tensile strain case is significantly reduced, and its methodologies are varied, including investigation of bubbles present in the layers, − indirectly tuning the strain through thermally expanding the substrate, − electromechanically controlled piezoelectric substrates, textured substrates, or mechanically bending the substrate . Owing to intrinsic difficulties in estimate strain values in the different methodologies, dispersive values were reported for the gauge factors of the band gap, spanning from 4 meV/% to 124 meV/% for biaxial strained monolayer MoS 2 .…”

Section: Introductionmentioning

confidence: 99%

Strong Substrate Strain Effects in Multilayered WS₂ Revealed by High-Pressure Optical Measurements

Oliva

Woźniak

Faria

et al. 2022

ACS Appl. Mater. Interfaces

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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 Bethe–Salpeter equation with high-pressure optical measurements to thoroughly describe the effect of strain and dielectric environment onto the electronic band structure and optical properties of a few-layered transition-metal dichalcogenide. Our results show that WS2 remains fully adhered to the substrate at least up to a −0.6% in-plane compressive strain for a wide range of substrate materials. We provide a useful model to describe effect of strain on the optical gap energy. The corresponding experimentally determined out-of-plane and in-plane stress gauge factors for WS2 monolayers are −8 and 24 meV/GPa, respectively. The exceptionally large in-plane gauge factor confirms transition metal dichalcogenides as very promising candidates for flexible functionalities. Finally, we discuss the pressure evolution of an optical transition closely lying to the A exciton for bulk WS2 as well as the direct-to-indirect transition of the monolayer upon compression.

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“…These results agree with those reported in the literature on bilayer MX 2 under both uniaxial and biaxial strains [ 35 , 53 ]. As reported by Carrascoso et al for monolayers, the uniaxial strains have a weaker effect on the bilayer material properties than the biaxial ones [ 43 ].…”

Section: Resultsmentioning

confidence: 94%

“…As for the effect of strain on the optical properties, it has only been investigated for monolayers. In a comparative investigation on MoS 2 monolayers, Carrascoso et al [ 43 ] showed that uniaxial strains have a weaker effect on the materials properties than biaxial ones. This type of comparative study has never been carried out on bilayer TMD, but we expect a similar trend.…”

Section: Introductionmentioning

confidence: 99%

Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains

2021

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This paper reports a Density Functional Theory (DFT) investigation of the electron density and optoelectronic properties of two-dimensional (2D) MX2 (M = Mo, W and X = S, Se, Te) subjected to biaxial strains. Upon strains ranging from −4% (compressive strain) to +4% (tensile strain), MX2 bilayers keep the same bandgap type but undergo a non-symmetrical evolution of bandgap energies and corresponding effective masses of charge carriers (m*). Despite a consistency regarding the electronic properties of Mo- and WX2 for a given X, the strain-induced bandgap shrinkage and m* lowering are strong enough to alter the strain-free sequence MTe2, MSe2, MS2, thus tailoring the photovoltaic properties, which are found to be direction dependent. Based on the quantum theory of atoms in molecules, the bond degree (BD) at the bond critical points was determined. Under strain, the X-X BD decreases linearly as X atomic number increases. However, the kinetic energy per electron G/ρ at the bond critical point is independent of strains with the lowest values for X = Te, which can be related to the highest polarizability evidenced from the dielectric properties. A cubic relationship between the absolute BD summation of M-X and X-X bonds and the static relative permittivity was observed. The dominant position of X-X bond participating in this cubic relationship in the absence of strain was substantially reinforced in the presence of strain, yielding the leading role of the X-X bond instead of the M-X one in the photovoltaic response of 2D MX2 material.

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Biaxial versus uniaxial strain tuning of single-layer MoS2

Cited by 41 publications

References 71 publications

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

Strong Substrate Strain Effects in Multilayered WS₂ Revealed by High-Pressure Optical Measurements

Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains

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Biaxial versus uniaxial strain tuning of single-layer MoS2

Cited by 41 publications

References 71 publications

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe2

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe2

Strong Substrate Strain Effects in Multilayered WS2 Revealed by High-Pressure Optical Measurements

Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains

Contact Info

Product

Resources

About

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

Revealing the impact of strain in the optical properties of bubbles in monolayer MoSe₂

Strong Substrate Strain Effects in Multilayered WS₂ Revealed by High-Pressure Optical Measurements