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19 April 2024 |
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Article overview
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Raman spectrum of 1T'-WTe2 under tensile strain: A first-principles prediction | | Wei Yang
; Zi-Yang Yuan
; Ying-Qi Luo
; Yu Yang
; Fa-Wei Zheng
; Zong-Hai Hu
; Xiao-Hui Wang
; Yuan-An Liu
; Ping Zhang
; | | Date: |
13 Feb 2019 | | Abstract: | Monolayer WTe2 attracts rapidly growing interests for its large-gap quantum
spin Hall effect,which enables promising apllications in flexible logic
devices. Due to one-dimensional W-W chains,1T’-WTe2 exhibits unique anisotropic
structure and promising properties, which can be modified by simply applying
strains. Based on the first-principles simulations, we show that phonon branch
undergoes soft down to negative frequency at special q points under different
critical strains, i.e., epsilon_a = 11.55 percent along a-axis (with W-W
chains) direction, epsilon_b = 7.0 percent along b-axis direction and
epsilon_ab = 8.44 percent along biaxial direction. Before each critical strain,
the Raman-shift of A1_g, A3_g, and A4_g modes, corresponding to the main peaks
in Raman spectra of 1T’-WTe2 , shows anisotropic response to uniaxial strain
but most sensitive to biaxial strain. Interestingly, we find that the frequency
shift of A3_g mode show parabolic characters of strained 1T’-WTe2, then we
split it into two parts and it shows a Raman-shift transition at about 5
percent strains. While for the A1_g and A4_g modes,the frequencies change
linearly. Through careful structure and vibration analysis, we try to explain
these Raman irregularity in strained 1T’-WTe2. | | Source: | arXiv, 1902.4676 | | Services: | Forum | Review | PDF | Favorites | |
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