Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC
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| Formato: | Artículo científico |
| Lenguaje: | en |
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Sociedade Brasileira de Física
2006
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| _version_ | 1876429872370286592 |
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| author | J. S. Soares |
| author_facet | J. S. Soares |
| contents | Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC J. S. Soares H. W. Leite Alves Física, Astronomía y Matemáticas SiC (100) Ab initio results Vibrational modes In this work, we presented our preliminary ab initio results for the vibrational modes and the phonon frequenciesof the SiC (100) surfaces. Our results are in good agreement with the available experimental data wheneverthis comparison is possible. For the accepted models of the C-terminated surfaces in the c(2£2) reconstruction,while in the bridge-dimer model there is an acetylene-like vibrational A1 mode at 2031 cm¡1, which isinfrared active, in the staggered-dimer model, there is a F¨uchs-Kliewer (FK) mode at 1328 cm¡1, which is experimentallydetected. For Si-terminated surfaces in the p(2£1) reconstruction, instead, no FK was obtained, incontradiction with the HREELS experimental results for the Si-terminated surfaces, but they are in consonancewith the fact that this surface should be described by a (3£2) or more complex models. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436318 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| format | Artículo científico |
| id | redalyc_46436318 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC J. S. Soares Física, Astronomía y Matemáticas SiC (100) Ab initio results Vibrational modes Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC J. S. Soares H. W. Leite Alves Física, Astronomía y Matemáticas SiC (100) Ab initio results Vibrational modes In this work, we presented our preliminary ab initio results for the vibrational modes and the phonon frequenciesof the SiC (100) surfaces. Our results are in good agreement with the available experimental data wheneverthis comparison is possible. For the accepted models of the C-terminated surfaces in the c(2£2) reconstruction,while in the bridge-dimer model there is an acetylene-like vibrational A1 mode at 2031 cm¡1, which isinfrared active, in the staggered-dimer model, there is a F¨uchs-Kliewer (FK) mode at 1328 cm¡1, which is experimentallydetected. For Si-terminated surfaces in the p(2£1) reconstruction, instead, no FK was obtained, incontradiction with the HREELS experimental results for the Si-terminated surfaces, but they are in consonancewith the fact that this surface should be described by a (3£2) or more complex models. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436318 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| title | Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC |
| topic | Física, Astronomía y Matemáticas SiC (100) Ab initio results Vibrational modes |
| url | https://www.redalyc.org/articulo.oa?id=46436318 |