Theoretical study of surfactant action of Te on Si(001)/Ge surfaces

Detalhes bibliográficos
Autor(a) principal: Miwa,R. H.
Data de Publicação: 1999
Outros Autores: Takahashi,E. K.
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=S0103-97331999000400042
Resumo: We have performed first-principles total energy calculations to investigate the adsorption process of Ge on Si(001)/Te, and the surfactant action of Te during the epitaxial deposition of Ge on Si(001)/Te, based on an atomic exchange process, Ge <-> Te. The total energy calculation indicates that the adsorption of Ge atom in "vacancy" site is energetically more favourable than its adsorption in "bridge" site. The adsorption of Ge in "on-top" and "anti-bridge" sites can be ruled out. The segregation process of Te atoms, based on an atomic exchange mechanism, reduces the total energy of the surface, confirming the surfactant effect of Te atoms.
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spelling Theoretical study of surfactant action of Te on Si(001)/Ge surfacesWe have performed first-principles total energy calculations to investigate the adsorption process of Ge on Si(001)/Te, and the surfactant action of Te during the epitaxial deposition of Ge on Si(001)/Te, based on an atomic exchange process, Ge <-> Te. The total energy calculation indicates that the adsorption of Ge atom in "vacancy" site is energetically more favourable than its adsorption in "bridge" site. The adsorption of Ge in "on-top" and "anti-bridge" sites can be ruled out. The segregation process of Te atoms, based on an atomic exchange mechanism, reduces the total energy of the surface, confirming the surfactant effect of Te atoms.Sociedade Brasileira de Física1999-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400042Brazilian Journal of Physics v.29 n.4 1999reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97331999000400042info:eu-repo/semantics/openAccessMiwa,R. H.Takahashi,E. K.eng2001-02-23T00:00:00Zoai:scielo:S0103-97331999000400042Revistahttp://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:2001-02-23T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
title Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
spellingShingle Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
Miwa,R. H.
title_short Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
title_full Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
title_fullStr Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
title_full_unstemmed Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
title_sort Theoretical study of surfactant action of Te on Si(001)/Ge surfaces
author Miwa,R. H.
author_facet Miwa,R. H.
Takahashi,E. K.
author_role author
author2 Takahashi,E. K.
author2_role author
dc.contributor.author.fl_str_mv Miwa,R. H.
Takahashi,E. K.
description We have performed first-principles total energy calculations to investigate the adsorption process of Ge on Si(001)/Te, and the surfactant action of Te during the epitaxial deposition of Ge on Si(001)/Te, based on an atomic exchange process, Ge <-> Te. The total energy calculation indicates that the adsorption of Ge atom in "vacancy" site is energetically more favourable than its adsorption in "bridge" site. The adsorption of Ge in "on-top" and "anti-bridge" sites can be ruled out. The segregation process of Te atoms, based on an atomic exchange mechanism, reduces the total energy of the surface, confirming the surfactant effect of Te atoms.
publishDate 1999
dc.date.none.fl_str_mv 1999-12-01
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=S0103-97331999000400042
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400042
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97331999000400042
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.29 n.4 1999
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
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