Low-frequency Raman fingerprints of two-dimensional metal dichalcogenide layer stacking configurations

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan; Xiao, Kai; Wang, Kai; Mahjouri-Samani, Masoud; Basile, Leonardo; Idrobo, Juan Carlos; Sumpter, Bobby G.; Meunier, Vincent; Geohegan, David B.

doi:10.1021/acsnano.5b01884

Title: Low-frequency Raman fingerprints of two-dimensional metal dichalcogenide layer stacking configurations

Journal Article · Tue May 12 00:00:00 EDT 2015 · ACS Nano

DOI:https://doi.org/10.1021/acsnano.5b01884· OSTI ID:1193188

Puretzky, Alexander A. ^[1]; Liang, Liangbo ^[2]; Li, Xufan ^[1]; Xiao, Kai ^[1]; Wang, Kai ^[1]; Mahjouri-Samani, Masoud ^[1]; Basile, Leonardo ^[3]; Idrobo, Juan Carlos ^[1]; Sumpter, Bobby G. ^[1]; Meunier, Vincent ^[2]; Geohegan, David B. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Rensselaer Polytechnic Institute, Troy, NY (United States)
Escuela Politecnica Nacional, Quito (Ecuador)

In this study, stacked monolayers of two-dimensional (2D) materials present a new class of hybrid materials with tunable optoelectronic properties determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) and electron energy loss spectroscopy (EELS) can be used to determine the exact atomic registration between different layers, in few-layer 2D stacks, however fast optical characterization techniques are essential for rapid development of the field. Here, using two- and three-layer MoSe₂ and WSe₂ crystals synthesized by chemical vapor deposition we show that the generally unexplored low frequency (LF) Raman modes (< 50 cm^-1) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations. Ab initio calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries.

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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:: 1193188

Journal Information:: ACS Nano, Vol. 9, Issue 6; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 130 works

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36 MATERIALS SCIENCE
two-dimensional materials
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low-frequency Raman spectroscopy
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first-principles calculations

Title: Low-frequency Raman fingerprints of two-dimensional metal dichalcogenide layer stacking configurations

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