Anomalous interlayer vibrations in strongly coupled layered PdSe2

Puretzky, Alexander A.; Oyedele, Akinola D.; Xiao, Kai; Haglund, Amanda V.; Sumpter, Bobby G.; Mandrus, David; Geohegan, David B.; Liang, Liangbo

doi:10.1088/2053-1583/aabe4d

Title: Anomalous interlayer vibrations in strongly coupled layered PdSe₂

Journal Article · 04 May 2018 · 2D Materials

DOI: https://doi.org/10.1088/2053-1583/aabe4d · OSTI ID:1437902

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In this work, we show unusual effects of strong interlayer coupling on low-frequency (LF) Raman scattering in exfoliated PdSe₂ crystals with different number of layers. Unlike many other layered materials, it is found that the measured frequencies of the breathing modes cannot be simply described by a conventional linear chain model (LCM) that treats each layer as a single rigid object. By using first-principles calculations, we show that strong deviations from layer rigidity can occur for the LF breathing vibrations of PdSe₂, which accounts for the observed disagreement with the conventional LCM. The layer non-rigidity and strong interlayer coupling could also explain the unusual strong intensities of the LF breathing modes that are comparable with those of the high-frequency Raman modes. These strong intensities allowed us to use a set of the measured LF Raman lines as unique fingerprints for a precise assignment of the layer numbers. The assignment of the layer numbers was further confirmed using second harmonic generation that appeared only in the noncentrosymmetric even-layer PdSe₂ crystals. In conclusion, this work thus demonstrates a simple and fast approach for the determination of the number of layers in 2D materials with strong interlayer coupling and non-rigid interlayer vibrations.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1437902

Journal Information:: 2D Materials, Vol. 5, Issue 3; ISSN 2053-1583

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 55 works

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linear chain model
layer partial-rigidity

Title: Anomalous interlayer vibrations in strongly coupled layered PdSe2

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Title: Anomalous interlayer vibrations in strongly coupled layered PdSe₂