Anisotropic Phonon Response of Few-Layer PdSe2 under Uniaxial Strain

Luo, Weijun; Oyedele, Akinola D.; Gu, Yiyi; Li, Tianshu; Wang, Xingzhi; Haglund, Amanda V.; Mandrus, David; Puretzky, Alexander A.; Xiao, Kai; Liang, Liangbo; Ling, Xi

doi:10.1002/adfm.202003215

Anisotropic Phonon Response of Few-Layer PdSe₂ under Uniaxial Strain

Journal Article · Mon Jul 06 00:00:00 EDT 2020 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.202003215· OSTI ID:1649478

Luo, Weijun ^[1]; Oyedele, Akinola D. ^[2]; Gu, Yiyi ^[3]; Li, Tianshu ^[1]; Wang, Xingzhi ^[1]; Haglund, Amanda V. ^[4]; Mandrus, David ^[5]; ^[3]; ^[3]; ^[3]; ^[6]

Boston Univ., MA (United States)
Univ. of Tennessee, Knoxville, TN (United States). Bredesen Center for Interdisciplinary Research and Graduate Education; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Univ. of Tennessee, Knoxville, TN (United States). Bredesen Center for Interdisciplinary Research and Graduate Education; Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Boston Univ., MA (United States); Boston Univ., MA (United States). The Photonics Center

PdSe₂, an emerging 2D material with a novel anisotropic puckered pentagonal structure, has attracted growing interest due to its layer-dependent electronic bandgap, high carrier mobility, and good air stability. In this work, a detailed Raman spectroscopic study of few-layer PdSe₂ (two to five layers) under the in-plane uniaxial tensile strain up to 3.33% is performed. Two of the prominent PdSe₂ Raman peaks are influenced differently depending on the direction of strain application. Additionally, the

A_{g}^{1}

mode redshifts more than the

A_{g}^{3}

mode when the strain is applied along the a-axis of the crystal, while the

A_{g}^{3}

mode redshifts more than the

A_{g}^{1}

mode when the strain is applied along the b-axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe₂ and also allows the identification of the crystal axes. The results are further supported using first-principles density-functional theory. Interestingly, the near-zero Poisson’s ratios for few-layer PdSe₂ are found, suggesting that the uniaxial tensile strain can easily be applied to few-layer PdSe₂ without significantly altering their dimensions at the perpendicular directions, which is a major contributing factor to the observed distinct phonon behavior. The findings pave the way for further development of 2D PdSe₂-based flexible electronics.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1649478

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 35 Vol. 30; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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PdSe2
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strain engineering
stretchable
transition metal dichalcogenides

Anisotropic Phonon Response of Few-Layer PdSe2 under Uniaxial Strain

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Anisotropic Phonon Response of Few-Layer PdSe₂ under Uniaxial Strain