X-ray diffraction study of molybdenum diselenide to 35.9GPa

Aksoy, Resul; Selvi, E. Thamarai; Ma, Yanzhang

doi:10.1016/j.jpcs.2008.03.020

Cited by 22 publications

(27 citation statements)

References 14 publications

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“…We note that the c/a curve profile shows discontinuity at B19 GPa. Similar behaviour was also reported by Aksoy et al 50 and can be attributed to a pressure-induced structural distortion in which MoS 2 layers slide from the original 2H c -MoS 2 to the 2H a -MoS 2 structure 24 . Based on theoretical studies by Hromadová et al 22 , the peak positions in Raman measurements under high pressure coincide with the electronic properties of the emergent 2H a -MoS 2 phase.…”

Section: Discussionsupporting

confidence: 87%

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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Section: Discussionsupporting

confidence: 87%

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

et al. 2014

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“…2 (b) by intercept on the y-axis, V is the volume, B T is the isothermal bulk modulus at a given pressure and is taken from the reported data for MoS 2 , MoSe 2 , WS 2 and WSe 2 [29,[38][39][40] and dω i /dP is the pressure coefficient. The values of γ iT calculated for all MX 2 single crystals for A 1g and E 1 2g modes are shown in Table 2.…”

Section: Analysis Of Anharmonicity By Raman Spectramentioning

confidence: 99%

“…[46][47][48][49][50][51][52][53][54] They show that the Raman shift can be successfully modeled by including the Table 1. Wavenumber and assignments of the phonon modes observed in the Raman spectrum of MX 2 single crystal using reference [13,[22][23][24][25][26][27] [29,[38][39][40] thermal expansion coefficient, [41,42] effects of thermal expansion and phonon-phonon coupling. [49] In an isotropic system (such as cubic crystal), the phonon wavenumber ω = ω(V,T).…”

Section: Analysis Of Anharmonicity By Raman Spectramentioning

confidence: 99%

Raman spectroscopic investigations on transition‐metal dichalcogenides MX₂ (M = Mo, W; X = S, Se) at high pressures and low temperature

Bhatt

Deshpande

Sathe

et al. 2014

J Raman Spectroscopy

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Transition-metal dichalcogenides have been investigated using Raman spectroscopy both being off-resonance and in resonance. The first-order Raman spectra of MoS 2 , MoSe 2 , WS 2 and WSe 2 single crystal synthesized by vapor transport technique have been studied as a function of hydrostatic pressure (0-20 GPa) and temperature (80-300 K). Isobaric and isothermal mode-Grüneisen parameters have been determined from the temperature and pressure-dependent Raman spectra. The pressure dependence of the chalcogen-chalcogen and metal-chalcogen force constant has been obtained using a central force model. Separation of the temperature dependence of Raman mode wavenumbers into quasi-harmonic and purely anharmonic contributions using measured high-pressure Raman data allows us to extract the changes in the phonon wavenumbers arising exclusively due to anharmonic interactions.

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“…A semiconductor-metal transition was obtained for a compressive strain of about 15% for single-layer MoS 2 14 . For bulk transition-metal chalcogenide, except a) E-mail: yangteng@imr.ac.cn for some experimental studies on pressure-induced structural change [15][16][17][18] , there have been so far no theoretical reports on the pressure effect. In particular, how pressure affects the electronic structure and if it can ultimately improve its thermoelectric properties have never been investigated.…”

Section: Introductionmentioning

confidence: 99%

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

Guo

Yang

Peng

et al. 2013

Journal of Applied Physics

118

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We systematically study the effect of high pressure on the structure, electronic structure and transport properties of 2H-MoS 2 , based on first-principles density functional calculations and the Boltzmann transport theory. Our calculation shows a vanishing anisotropy in the rate of structural change at around 25 GPa, in agreement with the experimental data. A conversion from van der Waals(vdW) to covalent-like bonding is seen. Concurrently, a transition from semiconductor to metal occurs at 25 GPa from band structure calculation. Our transport calculations also find pressure-enhanced electrical conductivities and significant values of the thermoelectric figure of merit over a wide temperature range. Our study supplies a new route to improve the thermoelectric performance of MoS 2 and of other transition metal dichalcogenides by applying hydrostatic pressure.

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X-ray diffraction study of molybdenum diselenide to 35.9GPa

Cited by 22 publications

References 14 publications

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Raman spectroscopic investigations on transition‐metal dichalcogenides MX₂ (M = Mo, W; X = S, Se) at high pressures and low temperature

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

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X-ray diffraction study of molybdenum diselenide to 35.9GPa

Cited by 22 publications

References 14 publications

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Raman spectroscopic investigations on transition‐metal dichalcogenides MX2 (M = Mo, W; X = S, Se) at high pressures and low temperature

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

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Raman spectroscopic investigations on transition‐metal dichalcogenides MX₂ (M = Mo, W; X = S, Se) at high pressures and low temperature