skip to main content

Title: Temperature effect on optical spectra of monolayer molybdenum disulfide

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.
Authors:
; ;  [1]
  1. Department of Physics, Washington University in St. Louis, St. Louis, Missouri 63136 (United States)
Publication Date:
OSTI Identifier:
22273392
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BETHE-SALPETER EQUATION; MOLYBDENUM SULFIDES; PHOTOLUMINESCENCE; SPECTRA; TEMPERATURE DEPENDENCE; THERMAL EXPANSION