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Abstract Niobium chloride (Nb3Cl8) is a layered two-dimensional semiconducting material with many exotic properties including a breathing kagome lattice, a topological flat band in its band structure, and a crystal structure that undergoes a structural and magnetic phase transition at temperatures below 90 K. Despite being a remarkable material with fascinating new physics, the understanding of its phonon properties is at its infancy. In this study, we investigate the phonon dynamics of Nb3Cl8in bulk and few layer flakes using polarized Raman spectroscopy and density-functional theory (DFT) analysis to determine the material’s vibrational modes, as well as their symmetrical representations and atomic displacements. We experimentally resolved 12 phonon modes, five of which areA1gmodes while the remaining seven areEgmodes, which is in strong agreement with our DFT calculation. Layer-dependent results suggest that the Raman peak positions are mostly insensitive to changes in layer thickness, while peak intensity and full width at half maximum are affected. Raman measurements as a function of excitation wavelength (473–785 nm) show a significant increase of the peak intensities when using a 473 nm excitation source, suggesting a near resonant condition. Temperature-dependent Raman experiments carried out above and below the transition temperature did not show any change in the symmetries of the phonon modes, suggesting that the structural phase transition is likely from the high temperatureP 1 phase to the low-temperatureR phase. Magneto-Raman measurements carried out at 140 and 2 K between −2 and 2 T show that the Raman modes are not magnetically coupled. Overall, our study presented here significantly advances the fundamental understanding of layered Nb3Cl8material which can be further exploited for future applications.
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Anisotropic Phonon Response of Few‐Layer PdSe 2 under Uniaxial Strain
Abstract 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. Herein, 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 PdSe2Raman peaks are influenced differently depending on the direction of strain application. The mode redshifts more than the mode when the strain is applied along thea‐axis of the crystal, while the mode redshifts more than the mode when the strain is applied along theb‐axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe2and 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 PdSe2are found, suggesting that the uniaxial tensile strain can easily be applied to few‐layer PdSe2without 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.
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- Award ID(s):
- 1945364
- PAR ID:
- 10456699
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Functional Materials
- Volume:
- 30
- Issue:
- 35
- ISSN:
- 1616-301X
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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