Hydrogen role on the properties of amorphous silicon nitride

Detalhes bibliográficos
Autor(a) principal: Mota, F. de Brito
Data de Publicação: 1999
Outros Autores: Justo, J. F., Fazzio, A.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/7978
Resumo: p.1843-1847
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spelling Mota, F. de BritoJusto, J. F.Fazzio, A.Mota, F. de BritoJusto, J. F.Fazzio, A.2013-01-18T12:30:53Z2013-01-18T12:30:53Z1999-08-150021-8979http://www.repositorio.ufba.br/ri/handle/ri/7978v. 86, n. 4p.1843-1847We have developed an interatomic potential to investigate structural properties of hydrogenated amorphous silicon nitride. The interatomic potential used the Tersoff functional form to describe the Si–Si, Si–N, Si–H, N–H, and H–H interactions. The fitting parameters for all these interactions were found with a set of ab initio and experimental results of the silicon nitride crystalline phase, and of molecules involving hydrogen. We investigated the structural properties of unhydrogenated and hydrogenated amorphous silicon nitride through Monte Carlo simulations. The results show that depending on the nitrogen content, hydrogen has a different chemical preference to bind to either nitrogen or silicon, which is corroborated by experimental findings. Besides, hydrogen incorporation reduced considerably the concentration of undercoordinated atoms in the material, and consequently the concentration of dangling bonds.Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-01-18T12:30:53Z No. of bitstreams: 1 Mota.pdf: 314787 bytes, checksum: 6d548fa5b2f7e4405b25d27a0776ef92 (MD5)Made available in DSpace on 2013-01-18T12:30:53Z (GMT). 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dc.title.pt_BR.fl_str_mv Hydrogen role on the properties of amorphous silicon nitride
dc.title.alternative.pt_BR.fl_str_mv Journal of Applied Physics
title Hydrogen role on the properties of amorphous silicon nitride
spellingShingle Hydrogen role on the properties of amorphous silicon nitride
Mota, F. de Brito
silicon compounds
amorphous state
noncrystalline structure
hydrogen
ab initio calculations
Monte Carlo methods
dangling bonds
potential energy functions
title_short Hydrogen role on the properties of amorphous silicon nitride
title_full Hydrogen role on the properties of amorphous silicon nitride
title_fullStr Hydrogen role on the properties of amorphous silicon nitride
title_full_unstemmed Hydrogen role on the properties of amorphous silicon nitride
title_sort Hydrogen role on the properties of amorphous silicon nitride
author Mota, F. de Brito
author_facet Mota, F. de Brito
Justo, J. F.
Fazzio, A.
author_role author
author2 Justo, J. F.
Fazzio, A.
author2_role author
author
dc.contributor.author.fl_str_mv Mota, F. de Brito
Justo, J. F.
Fazzio, A.
Mota, F. de Brito
Justo, J. F.
Fazzio, A.
dc.subject.por.fl_str_mv silicon compounds
amorphous state
noncrystalline structure
hydrogen
ab initio calculations
Monte Carlo methods
dangling bonds
potential energy functions
topic silicon compounds
amorphous state
noncrystalline structure
hydrogen
ab initio calculations
Monte Carlo methods
dangling bonds
potential energy functions
description p.1843-1847
publishDate 1999
dc.date.issued.fl_str_mv 1999-08-15
dc.date.accessioned.fl_str_mv 2013-01-18T12:30:53Z
dc.date.available.fl_str_mv 2013-01-18T12:30:53Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/7978
dc.identifier.issn.none.fl_str_mv 0021-8979
dc.identifier.number.pt_BR.fl_str_mv v. 86, n. 4
identifier_str_mv 0021-8979
v. 86, n. 4
url http://www.repositorio.ufba.br/ri/handle/ri/7978
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1063/1.370977
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
instacron:UFBA
instname_str Universidade Federal da Bahia (UFBA)
instacron_str UFBA
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reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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