High pressure effect on structure, electronic structure, and thermoelectric properties of MoS2

Guo, H.; Yang, Teng; Peng, Tao; Wang, Yong; Zhang, Zhidong

doi:10.1063/1.4772616

Cited by 118 publications

(100 citation statements)

References 39 publications

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“…3(a). For the P-MoS 2 , the band gap drops almost linearly with the strain, till it vanishes at 10%, which is consistent with previous calculations 31,32 . For the V S2 -and V Mo -MoS 2 , band gaps were found smaller than that of P-MoS 2 and close at 9% and 7%, respectively.…”

Section: Resultssupporting

confidence: 81%

“…For MoS 2 monolayer, we believe that conducting electrons play a more substantial role in determining magnetism. Tensile strain triggers a semiconductor-metal transition, and more importantly induces hybridization between orbitals in the vicinity of vacancies and delocalized Mo-d z orbitals 32 . This hybridization gives rise to magnetic instability in the Fermi level and to itinerant magnetism.…”

Section: Resultsmentioning

confidence: 99%

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Strain-induced magnetism in MoS2 monolayer with defects

Peng

Guo

Yang

et al. 2014

Journal of Applied Physics

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127

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The strain-induced magnetism is observed in single-layer MoS 2 with atomic single vacancies from density functional calculations. Calculated magnetic moment is no less than 2 µ B per vacancy defect. The straininduced band gap closure is concurrent with the occurrence of the magnetism. Possible physical mechanism of the emergence of strain-induced magnetism is illustrated. We also demonstrate the possibility to test the predicted magnetism in experiment. Our study may provide an opportunity for the design of new type of memory-switching or logic devices by using earth-rich nonmagnetic materials MoS 2 .

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Section: Resultssupporting

confidence: 81%

Section: Resultsmentioning

confidence: 99%

Strain-induced magnetism in MoS2 monolayer with defects

Peng

Guo

Yang

et al. 2014

Journal of Applied Physics

Self Cite

127

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“…In agreement with prior theoretical studies 18,19,46 , our theoretically predicted band gap is found to depend inversely on pressure and that the critical pressure for the electronic phase transition is predicted to scale down for multilayered films from B16% normal compressive strain to B11% for bilayer MoS 2 ( Supplementary Fig. 8).…”

Section: Discussionsupporting

confidence: 76%

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

et al. 2014

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Molybdenum disulphide is a layered transition metal dichalcogenide that has recently raised considerable interest due to its unique semiconducting and opto-electronic properties. Although several theoretical studies have suggested an electronic phase transition in molybdenum disulphide, there has been a lack of experimental evidence. Here we report comprehensive studies on the pressure-dependent electronic, vibrational, optical and structural properties of multilayered molybdenum disulphide up to 35 GPa. Our experimental results reveal a structural lattice distortion followed by an electronic transition from a semiconducting to metallic state at B19 GPa, which is confirmed by ab initio calculations. The metallization arises from the overlap of the valance and conduction bands owing to sulphur-sulphur interactions as the interlayer spacing reduces. The electronic transition affords modulation of the opto-electronic gain in molybdenum disulphide. This pressuretuned behaviour can enable the development of novel devices with multiple phenomena involving the strong coupling of the mechanical, electrical and optical properties of layered nanomaterials.

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“…[145][146][147] The metallization arises from the overlap of the valance and conduction bands as the interlayer spacing decreases. Recently, both X-ray diffraction and Raman spectroscopy of ML (at ∼19 GPa) and bulk MoS 2 (between 20 and 30 GPa) under high pressure confirmed the above transitions.…”

Section: E Pressure-induced Semiconductor To Metallic Transitionmentioning

confidence: 99%

Phonon and Raman scattering of two-dimensional transition metal dichalcogenides from monolayer, multilayer to bulk material

et al. 2015

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Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps, and recent advances in the synthesis, characterization, and device fabrication of the representative MoS2, WS2, WSe2, and MoSe2 TMDs make TMDs very attractive in nanoelectronics and optoelectronics. Similar to graphite and graphene, the atoms within each layer in 2D TMDs are joined together by covalent bonds, while van der Waals interactions keep the layers together. This makes the physical and chemical properties of 2D TMDs layer dependent. In this review, we discuss the basic lattice vibrations of monolayer, multilayer, and bulk TMDs, including high-frequency optical phonons, interlayer shear and layer breathing phonons, the Raman selection rule, layer-number evolution of phonons, multiple phonon replica, and phonons at the edge of the Brillouin zone. The extensive capabilities of Raman spectroscopy in investigating the properties of TMDs are discussed, such as interlayer coupling, spin-orbit splitting, and external perturbations. The interlayer vibrational modes are used in rapid and substrate-free characterization of the layer number of multilayer TMDs and in probing interface coupling in TMD heterostructures. The success of Raman spectroscopy in investigating TMD nanosheets paves the way for experiments on other 2D crystals and related van der Waals heterostructures.

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High pressure effect on structure, electronic structure, and thermoelectric properties of MoS2

Cited by 118 publications

References 39 publications

Strain-induced magnetism in MoS2 monolayer with defects

Strain-induced magnetism in MoS2 monolayer with defects

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Phonon and Raman scattering of two-dimensional transition metal dichalcogenides from monolayer, multilayer to bulk material

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