Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

Scalise, Emilio; Houssa, Michel; Pourtois, Geoffrey; Afanas’ev, Valery V.; Stesmans, André

doi:10.1007/s12274-011-0183-0

Cited by 639 publications

(522 citation statements)

References 25 publications

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“…Similarly, bandgap engineering is possible by applying strain. The application of strain drives a direct-to-indirect band gap transition in single-layer MoS 2 [27,28,29,30,31,32]. Moreover, suitable hydrostatic pressure reduces the band gap of single-and multi-layer MoS 2 resulting in a phase transition from semiconductor to metal [33,34].…”

Section: Introductionmentioning

confidence: 99%

Vibrational and optical properties of MoS2: From monolayer to bulk

Molina-Sánchez

Hummer

Wirtz

2015

Surface Science Reports

201

167

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Molybdenum disulfide, MoS 2 , has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each other. Therefore, mechanical exfoliation allows the fabrication of single and multi-layers and opens the possibility to generate atomically thin crystals with outstanding properties. In contrast to graphene, it has an optical gap of 1.9 eV. This makes it a prominent candidate for transistor and opto-electronic applications. Single-layer MoS 2 exhibits remarkably different physical properties compared to bulk MoS 2 due to the absence of interlayer hybridization. For instance, while the band gap of bulk and multi-layer MoS 2 is indirect, it becomes direct with decreasing number of layers. In this review, we analyze from a theoretical point of view the electronic, optical, and vibrational properties of single-layer, few-layer and bulk MoS 2 . In particular, we focus on the effects of spinorbit interaction, number of layers, and applied tensile strain on the vibrational and optical properties. We examine the results obtained by different methodologies, mainly ab initio approaches. We also discuss which approximations are suitable for MoS 2 and layered materials. The effect of external strain on the band gap of single-layer MoS 2 and the crossover from indirect to direct band gap is investigated. We analyze the excitonic effects on the absorption spectra. The main features, such as the double peak at the absorption threshold and the high-energy exciton are presented. Furthermore, we report on the phonon dispersion relations of single-layer, few-layer and bulk MoS 2 . Based on the latter, we explain the behavior of the Raman-active A 1g and E 1 2g modes as a function of the number of layers. Finally, we compare theoretical and experimental results of Raman, photoluminescence, and optical-absorption spectroscopy.

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Section: Introductionmentioning

confidence: 99%

Vibrational and optical properties of MoS2: From monolayer to bulk

Molina-Sánchez

Hummer

Wirtz

2015

Surface Science Reports

201

167

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“…21 Monolayer and bilayer MoS2 change from semiconducting to metallic both under biaxial compressive and tensile strains. 22 Therefore, it is possible to tune the band structure while strains are applied on BiOX. 23 In this paper, we researched the stability, electronic structures and bonding nature of BiOCl with different layers under both biaxial compressive and tensile strains using first-principle method.…”

Section: Introductionmentioning

confidence: 99%

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Hao

Zhang

et al. 2016

J. Phys. Chem. C

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Being a new two-dimensional layered compounds, the tunable indirect-direct band transformation of BiOCl with different layers can be realized by introducing the biaxial tensile or compressive strains. The band structure and stability of BiOCl with different layers are first researched to clarify the influence of layer numbers. A phase transformation of bilayer BiOCl and metallic characteristic for all are observed under large tensile and compressive strains, respectively. In addition, bond length, interlayer spacing, and band decomposed charge density are calculated to analyze the mechanism behind these phenomena. The results indicate that the band structure transformation is primarily related to the competitions between two kinds of intralayer and interlayer Bi-O bonds and hybridizations between atoms under strains.

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“…6,7,15 This large breaking strength value has motivated a surge of theoretical works that study the changes of the MoS 2 band structure induced by strain [16][17][18][19][20][21][22][23][24][25] suggesting a means to trap photogenerated excitons. 3 In a conventional semiconductor, exciton confining potentials are typically engineered by locally changing its chemical composition.…”

mentioning

confidence: 99%

Local Strain Engineering in Atomically Thin MoS₂

et al. 2013

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Controlling the bandstructure through local-strain engineering is an exciting avenue for tailoring optoelectronic properties of materials at the nanoscale. Atomically thin materials are particularly well suited for this purpose because they can withstand extreme non-homogeneous deformations before rupture. Here, we study the effect of large localized strain in the electronic bandstructure of atomically thin MoS 2 . Using photoluminescence imaging, we observe a strain-induced reduction of the direct bandgap, and funneling of photogenerated excitons towards regions of higher strain.To understand these results, we develop a non-uniform tight-binding model to calculate the electronic properties of MoS 2 nanolayers with complex and realistic local strain geometries, finding good agreement with our experimental results.

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Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

Cited by 639 publications

References 25 publications

Vibrational and optical properties of MoS2: From monolayer to bulk

Vibrational and optical properties of MoS2: From monolayer to bulk

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Local Strain Engineering in Atomically Thin MoS₂

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Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

Cited by 639 publications

References 25 publications

Vibrational and optical properties of MoS2: From monolayer to bulk

Vibrational and optical properties of MoS2: From monolayer to bulk

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Local Strain Engineering in Atomically Thin MoS2

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Local Strain Engineering in Atomically Thin MoS₂