Temperature effect on optical spectra of monolayer molybdenum disulfide

Ryan Soklaski; Yufeng Liang; Li Yang

doi:10.1063/1.4878098

Temperature effect on optical spectra of monolayer molybdenum disulfide

Ryan Soklaski
, Yufeng Liang
, Li Yang

Department of Physics

Research output: Contribution to journal › Article › peer-review

63 Scopus citations

Abstract

Recently, measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer molybdenum disulfide, MoS₂, is cooled from 363 K to 4 K. First-principles simulations using the GW-Bethe-Salpeter equation approach satisfactorily reproduce these frequency shifts by incorporating the thermal expansion effect. Studying these temperature effects in monolayer MoS ₂ is crucial for rectifying the results of available experiments with the previous predictions of zero-temperature-limit simulations. Moreover, our estimated thermal expansion coefficient of monolayer MoS₂ is less than that of bulk counterpart by tracking the frequency shifts of the exciton peaks in optical spectra. This may serve as a convenient way to estimate thermal expansion coefficients of general two-dimensional chalcogenides.

Original language	English
Article number	193110
Journal	Applied Physics Letters
Volume	104
Issue number	19
DOIs	https://doi.org/10.1063/1.4878098
State	Published - May 12 2014

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abstract = "Recently, measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer molybdenum disulfide, MoS2, is cooled from 363 K to 4 K. First-principles simulations using the GW-Bethe-Salpeter equation approach satisfactorily reproduce these frequency shifts by incorporating the thermal expansion effect. Studying these temperature effects in monolayer MoS 2 is crucial for rectifying the results of available experiments with the previous predictions of zero-temperature-limit simulations. Moreover, our estimated thermal expansion coefficient of monolayer MoS2 is less than that of bulk counterpart by tracking the frequency shifts of the exciton peaks in optical spectra. This may serve as a convenient way to estimate thermal expansion coefficients of general two-dimensional chalcogenides.",

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AU - Liang, Yufeng

AU - Yang, Li

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N2 - Recently, measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer molybdenum disulfide, MoS2, is cooled from 363 K to 4 K. First-principles simulations using the GW-Bethe-Salpeter equation approach satisfactorily reproduce these frequency shifts by incorporating the thermal expansion effect. Studying these temperature effects in monolayer MoS 2 is crucial for rectifying the results of available experiments with the previous predictions of zero-temperature-limit simulations. Moreover, our estimated thermal expansion coefficient of monolayer MoS2 is less than that of bulk counterpart by tracking the frequency shifts of the exciton peaks in optical spectra. This may serve as a convenient way to estimate thermal expansion coefficients of general two-dimensional chalcogenides.

AB - Recently, measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer molybdenum disulfide, MoS2, is cooled from 363 K to 4 K. First-principles simulations using the GW-Bethe-Salpeter equation approach satisfactorily reproduce these frequency shifts by incorporating the thermal expansion effect. Studying these temperature effects in monolayer MoS 2 is crucial for rectifying the results of available experiments with the previous predictions of zero-temperature-limit simulations. Moreover, our estimated thermal expansion coefficient of monolayer MoS2 is less than that of bulk counterpart by tracking the frequency shifts of the exciton peaks in optical spectra. This may serve as a convenient way to estimate thermal expansion coefficients of general two-dimensional chalcogenides.

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VL - 104

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JF - Applied Physics Letters

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ER -

Temperature effect on optical spectra of monolayer molybdenum disulfide

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