Origin of asymmetric broadening of Raman peak profiles in Si nanocrystals

The asymmetric peak broadening towards the low-frequency side of the Raman-active mode of Si nanocrystals with the decreasing size has been extensively reported in the literatures. In this study, an atomic coordination model is developed to study the origin of the ubiquitous asymmetric peak on the o...

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Bibliographic Details
Published in:Scientific reports 2017-02, Vol.7 (1), p.43602-43602, Article 43602
Main Authors: Gao, Yukun, Yin, Penggang
Format: Article
Language:English
Subjects:
639/301/357/354
639/925/357/354
Contraction
Crystals
Humanities and Social Sciences
multidisciplinary
Nanocrystals
Raman spectroscopy
Science
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Summary:The asymmetric peak broadening towards the low-frequency side of the Raman-active mode of Si nanocrystals with the decreasing size has been extensively reported in the literatures. In this study, an atomic coordination model is developed to study the origin of the ubiquitous asymmetric peak on the optical phonon fundamental in the Raman spectra of Si nanocrystals. Our calculation results accurately replicate the line shape of the experimentally measured optical Raman curves. More importantly, it is revealed that the observed asymmetric broadening is mainly caused by the surface bond contraction and the quantum confinement.
ISSN:2045-2322
2045-2322
DOI:10.1038/srep43602