Ab initio determination of the (100) surfaces phonon dispersions of the SiC
Autor(a) principal: | |
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Data de Publicação: | 2006 |
Outros Autores: | |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Brazilian Journal of Physics |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300018 |
Resumo: | In this work, we presented our preliminary ab initio results for the vibrational modes and the phonon frequencies of the SiC (100) surfaces. Our results are in good agreement with the available experimental data whenever this 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 is infrared active, in the staggered-dimer model, there is a Füchs-Kliewer (FK) mode at 1328 cm-1, which is experimentally detected. For Si-terminated surfaces in the p(2×1) reconstruction, instead, no FK was obtained, in contradiction with the HREELS experimental results for the Si-terminated surfaces, but they are in consonance with the fact that this surface should be described by a (3×2) or more complex models. |
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Brazilian Journal of Physics |
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Ab initio determination of the (100) surfaces phonon dispersions of the SiCAb initio resultsVibrational modesSiC (100)In this work, we presented our preliminary ab initio results for the vibrational modes and the phonon frequencies of the SiC (100) surfaces. Our results are in good agreement with the available experimental data whenever this 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 is infrared active, in the staggered-dimer model, there is a Füchs-Kliewer (FK) mode at 1328 cm-1, which is experimentally detected. For Si-terminated surfaces in the p(2×1) reconstruction, instead, no FK was obtained, in contradiction with the HREELS experimental results for the Si-terminated surfaces, but they are in consonance with the fact that this surface should be described by a (3×2) or more complex models.Sociedade Brasileira de Física2006-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300018Brazilian Journal of Physics v.36 n.2a 2006reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332006000300018info:eu-repo/semantics/openAccessSoares,J. S.Alves,H. W. Leiteeng2006-07-06T00:00:00Zoai:scielo:S0103-97332006000300018Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2006-07-06T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false |
dc.title.none.fl_str_mv |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
title |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
spellingShingle |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC Soares,J. S. Ab initio results Vibrational modes SiC (100) |
title_short |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
title_full |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
title_fullStr |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
title_full_unstemmed |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
title_sort |
Ab initio determination of the (100) surfaces phonon dispersions of the SiC |
author |
Soares,J. S. |
author_facet |
Soares,J. S. Alves,H. W. Leite |
author_role |
author |
author2 |
Alves,H. W. Leite |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Soares,J. S. Alves,H. W. Leite |
dc.subject.por.fl_str_mv |
Ab initio results Vibrational modes SiC (100) |
topic |
Ab initio results Vibrational modes SiC (100) |
description |
In this work, we presented our preliminary ab initio results for the vibrational modes and the phonon frequencies of the SiC (100) surfaces. Our results are in good agreement with the available experimental data whenever this 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 is infrared active, in the staggered-dimer model, there is a Füchs-Kliewer (FK) mode at 1328 cm-1, which is experimentally detected. For Si-terminated surfaces in the p(2×1) reconstruction, instead, no FK was obtained, in contradiction with the HREELS experimental results for the Si-terminated surfaces, but they are in consonance with the fact that this surface should be described by a (3×2) or more complex models. |
publishDate |
2006 |
dc.date.none.fl_str_mv |
2006-06-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300018 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300018 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0103-97332006000300018 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
dc.source.none.fl_str_mv |
Brazilian Journal of Physics v.36 n.2a 2006 reponame:Brazilian Journal of Physics instname:Sociedade Brasileira de Física (SBF) instacron:SBF |
instname_str |
Sociedade Brasileira de Física (SBF) |
instacron_str |
SBF |
institution |
SBF |
reponame_str |
Brazilian Journal of Physics |
collection |
Brazilian Journal of Physics |
repository.name.fl_str_mv |
Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF) |
repository.mail.fl_str_mv |
sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br |
_version_ |
1754734862689894400 |