Vacancy diffusion in silicon: analysis of transition state theory

Detalhes bibliográficos
Autor(a) principal: Gattass,R. R.
Data de Publicação: 1999
Outros Autores: Koiller,Belita, Capaz,R. B.
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=S0103-97331999000400046
Resumo: Transition state theory (TST) is the most widely used formalism for theoretical calculations of diffusion coeffcients of defects in solids. In this work, we test its validity for the case of vacancy diffusion in silicon. The diffusion coefficient directly obtained from molecular-dynamics simulations with a classical (Stillinger-Weber) potential is compared with TST predictions. Our results confirm the validity of TST for this system.
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spelling Vacancy diffusion in silicon: analysis of transition state theoryTransition state theory (TST) is the most widely used formalism for theoretical calculations of diffusion coeffcients of defects in solids. In this work, we test its validity for the case of vacancy diffusion in silicon. The diffusion coefficient directly obtained from molecular-dynamics simulations with a classical (Stillinger-Weber) potential is compared with TST predictions. Our results confirm the validity of TST for this system.Sociedade Brasileira de Física1999-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400046Brazilian Journal of Physics v.29 n.4 1999reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97331999000400046info:eu-repo/semantics/openAccessGattass,R. R.Koiller,BelitaCapaz,R. B.eng2001-02-23T00:00:00Zoai:scielo:S0103-97331999000400046Revistahttp://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 Vacancy diffusion in silicon: analysis of transition state theory
title Vacancy diffusion in silicon: analysis of transition state theory
spellingShingle Vacancy diffusion in silicon: analysis of transition state theory
Gattass,R. R.
title_short Vacancy diffusion in silicon: analysis of transition state theory
title_full Vacancy diffusion in silicon: analysis of transition state theory
title_fullStr Vacancy diffusion in silicon: analysis of transition state theory
title_full_unstemmed Vacancy diffusion in silicon: analysis of transition state theory
title_sort Vacancy diffusion in silicon: analysis of transition state theory
author Gattass,R. R.
author_facet Gattass,R. R.
Koiller,Belita
Capaz,R. B.
author_role author
author2 Koiller,Belita
Capaz,R. B.
author2_role author
author
dc.contributor.author.fl_str_mv Gattass,R. R.
Koiller,Belita
Capaz,R. B.
description Transition state theory (TST) is the most widely used formalism for theoretical calculations of diffusion coeffcients of defects in solids. In this work, we test its validity for the case of vacancy diffusion in silicon. The diffusion coefficient directly obtained from molecular-dynamics simulations with a classical (Stillinger-Weber) potential is compared with TST predictions. Our results confirm the validity of TST for this system.
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
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400046
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400046
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97331999000400046
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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