Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/27380

TitlePhonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling
Author(s)Vasin, Alexander
Vikhrova, Olga
Vasilevskiy, Mikhail
KeywordsNanocrystal
Alloying
Phonon
Raman scattering
Issue date5-Mar-2013
PublisherWiley-VCH Verlag
JournalPhysica Status Solidi C
CitationPhys. Status Solidi C 10, No. 4, 701–704 (2013)
Abstract(s)Si1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC’s total energy calculated using Tersoff’s empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated by analysing their inverse participation ratio. The dependence of the corresponding Raman spectra, obtained by employing the bond polarisability model, upon x and the NC size is presented and compared to previous calculated results and available experimental data.
TypeConference paper
URIhttp://hdl.handle.net/1822/27380
DOI10.1002/pssc.201200801
ISSN1862-6270
Publisher versionwww.pss-journals.com
Peer-Reviewedyes
AccessOpen access
Appears in Collections:CDF - CEP - Artigos/Papers (with refereeing)

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