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Raman Spectroscopy of Monolayer and Multilayer Graphenes Read chapter Read first chapter

2019 | OriginalPaper | Chapter

8. Raman Signatures of Surface and Interface Effects in Two-Dimensional Layered Materials: Theoretical Insights

Authors : Sandhya Chintalapati, Xin Luo, Su Ying Quek

Published in: Raman Spectroscopy of Two-Dimensional Materials

Publisher: Springer Singapore

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Abstract

Raman spectroscopy is a non-destructive and versatile method of identifying materials through their Raman “fingerprints”. To this end, first principles calculations are essential to predict the Raman spectra of different materials. First principles calculations, together with parametrized models, can also give atomic scale insights into the origins of Raman shifts and Raman intensities, thus providing a guide to experiments. In this chapter, we will discuss some insights we have gained through our theoretical modeling of Raman spectra in 2D materials and their heterostructures. In particular, we show that surface and interface effects in 2D materials can give rise to observable changes in the Raman spectra. For example, we show that the formation of a surface in the 2D material leads to larger interatomic force constants at the surface, which results in experimentally observed anomalous frequency trends of the \( {E}_{2g}^1 \) mode in MoS2, and the \( {E}_{2g}^1 \) and \( {B}_{2g}^1 \) modes in WSe2. We further show that the Raman intensities of the interlayer shear modes in 2D layered materials can be simply predicted based on the stacking sequence.

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previous chapter Double Resonance Raman Spectroscopy of Two-Dimensional Materials
next chapter Resonant Raman Spectroscopy of Two Dimensional Materials Beyond Graphene
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Metadata
Title
Raman Signatures of Surface and Interface Effects in Two-Dimensional Layered Materials: Theoretical Insights
Authors
Sandhya Chintalapati
Xin Luo
Su Ying Quek
Copyright Year
2019
Publisher
Springer Singapore
Book
Raman Spectroscopy of Two-Dimensional Materials

Print ISBN: 978-981-13-1827-6

Electronic ISBN: 978-981-13-1828-3

Copyright Year: 2019

DOI
https://doi.org/10.1007/978-981-13-1828-3_8

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