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Title: Temperature effect on optical spectra of monolayer molybdenum disulfide

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.4878098· OSTI ID:22273392
; ;  [1]
  1. Department of Physics, Washington University in St. Louis, St. Louis, Missouri 63136 (United States)

Recently, measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer molybdenum disulfide, MoS{sub 2}, 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{sub 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 MoS{sub 2} 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.

OSTI ID:
22273392
Journal Information:
Applied Physics Letters, Vol. 104, Issue 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
Country of Publication:
United States
Language:
English