Detalhes bibliográficos
| Resumo: | 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. |
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| Autores principais: | Vasin, Alexander |
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| Outros Autores: | Vikhrova, Olga; Vasilevskiy, Mikhail |
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| Assunto: | Nanocrystal Alloying Phonon Raman scattering |
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| Ano: | 2013 |
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| País: | Portugal |
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| Tipo de documento: | comunicação em conferência |
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| Tipo de acesso: | acesso aberto |
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| Instituição associada: | Universidade do Minho |
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| Idioma: | inglês |
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| Origem: | RepositóriUM - Universidade do Minho |
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