First principles calculations of as impurities in the presence of a 90º partial dislocation in Si
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=S0103-97332006000300007 |
Resumo: | We investigated the interaction of As impurities with a 90º partial dislocation in Si. The calculations show that As atoms segregate to the dislocation core. The most stable site for the As atom is at the stacking fault side, which is favorable by 0.26 eV as compared to an As atom in a crystalline position. There is no charge transfer from the As impurity to the dislocation core when the impurity is far from it. The segregation of the impurity can be understood mainly due to structural effects. This result let us conclude that the experimentally observed negatively charged dislocations are due to impurities trapping at the core of the dislocation and not charge transfer from impurities away from the dislocation. |
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Brazilian Journal of Physics |
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First principles calculations of as impurities in the presence of a 90º partial dislocation in SiFirst principles calculationsAs impuritiesDislocation in SiWe investigated the interaction of As impurities with a 90º partial dislocation in Si. The calculations show that As atoms segregate to the dislocation core. The most stable site for the As atom is at the stacking fault side, which is favorable by 0.26 eV as compared to an As atom in a crystalline position. There is no charge transfer from the As impurity to the dislocation core when the impurity is far from it. The segregation of the impurity can be understood mainly due to structural effects. This result let us conclude that the experimentally observed negatively charged dislocations are due to impurities trapping at the core of the dislocation and not charge transfer from impurities away from the dislocation.Sociedade Brasileira de Física2006-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300007Brazilian Journal of Physics v.36 n.2a 2006reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332006000300007info:eu-repo/semantics/openAccessSchmidt,T. M.Arantes,J. T.Fazzio,A.eng2006-07-10T00:00:00Zoai:scielo:S0103-97332006000300007Revistahttp://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:2006-07-10T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false |
dc.title.none.fl_str_mv |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
title |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
spellingShingle |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si Schmidt,T. M. First principles calculations As impurities Dislocation in Si |
title_short |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
title_full |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
title_fullStr |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
title_full_unstemmed |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
title_sort |
First principles calculations of as impurities in the presence of a 90º partial dislocation in Si |
author |
Schmidt,T. M. |
author_facet |
Schmidt,T. M. Arantes,J. T. Fazzio,A. |
author_role |
author |
author2 |
Arantes,J. T. Fazzio,A. |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Schmidt,T. M. Arantes,J. T. Fazzio,A. |
dc.subject.por.fl_str_mv |
First principles calculations As impurities Dislocation in Si |
topic |
First principles calculations As impurities Dislocation in Si |
description |
We investigated the interaction of As impurities with a 90º partial dislocation in Si. The calculations show that As atoms segregate to the dislocation core. The most stable site for the As atom is at the stacking fault side, which is favorable by 0.26 eV as compared to an As atom in a crystalline position. There is no charge transfer from the As impurity to the dislocation core when the impurity is far from it. The segregation of the impurity can be understood mainly due to structural effects. This result let us conclude that the experimentally observed negatively charged dislocations are due to impurities trapping at the core of the dislocation and not charge transfer from impurities away from the dislocation. |
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=S0103-97332006000300007 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300007 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0103-97332006000300007 |
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_ |
1754734862676262912 |