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Title: Temperature dependent structural evolution of wse2: A synchrotron x-ray diffraction study
Authors: Mathew, S.
Abraham, A.R.
Chintalapati, S.
Sarkar, S. 
Joseph, B.
Venkatesan, T. 
Keywords: Debye temperature
Transition metal dichalcogenides
Two-dimensional systems
X-ray powder diffraction
Issue Date: 2020
Publisher: MDPI AG
Citation: Mathew, S., Abraham, A.R., Chintalapati, S., Sarkar, S., Joseph, B., Venkatesan, T. (2020). Temperature dependent structural evolution of wse2: A synchrotron x-ray diffraction study. Condensed Matter 5 (4) : 1-Sep. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: A thorough investigation of the structural parameters of micromechanically exfoliated multilayer WSe2 flakes was undertaken between 400 K to 110 K. Crystal structure of WSe2 remains in the trigonal prismatic structure in this temperature range, however, with a clear difference in the temperature dependence of the in-plane a, and the out-of-plane c, lattice parameters. The linear coefficients of thermal expansion of a and c are 5.132 × 10?6/K and 8.105 × 10?6/K, respectively. The temperature dependence of the unit-cell volume is analyzed using zero-pressure equation-of-state which yielded the Debye temperature of the WSe2 to be 160 K. Following the temperature dependence of the W-Se and W-W bond distances, a nonlinear behavior is observed in the former in contrast to a rather regular behavior of the later. This significant difference in the temperature dependence of the a and c lattice parameters can have consequences in the macroscopic physical properties of the system. A good correlation between the temperature dependence of the W-Se bond distance and Raman E12g mode has been observed. © 2020 by the authors. Licensee MDPI, Basel, Switzerland.
Source Title: Condensed Matter
ISSN: 24103896
DOI: 10.3390/condmat5040076
Rights: Attribution 4.0 International
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