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Title: Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model
Authors: Luo, Xin
Lu, Xin
Cong, Chunxiao
Yu, Ting
Xiong, Qihua
Quek, Su Ying
Issue Date: 2015
Source: Luo, X., Lu, X., Cong, C., Yu, T., Xiong, Q., & Quek, S. Y. (2015). Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model. Scientific Reports, 5, 14565-.
Series/Report no.: Scientific Reports
Abstract: 2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials.
ISSN: 2045-2322
DOI: 10.1038/srep14565
Schools: School of Electrical and Electronic Engineering 
School of Physical and Mathematical Sciences 
Rights: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit
Fulltext Permission: open
Fulltext Availability: With Fulltext
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