Theoretical study of the electronic band gap in B-SiC nanowires

The structure and electronic properties of Ø -SiC nanowires in the directions of growth [111] and [001] are carried out by means of density functional theory (DFT) based on the generalized gradient approximation (GGA). The dangling bonds of the surface atoms in the quantum wires are passivated using...

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Detalles Bibliográficos
Autores: A. Trejo, M. Calvino, A. E. Ramos, E. Carvajal, M. Cruz-Irisson
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2011
País:México
Institución:Universidad Nacional Autónoma de México
Repositorio:Redalyc-UNAM
OAI Identifier:oai:redalyc.org:57030389006
Acceso en línea:https://www.redalyc.org/articulo.oa?id=57030389006
Access Level:acceso abierto
Palabra clave:Física, Astronomía y Matemáticas
Keywords
nanowires
silicon carbide
Density functional theory
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spelling Theoretical study of the electronic band gap in B-SiC nanowiresA. TrejoM. CalvinoA. E. RamosE. CarvajalM. Cruz-IrissonFísica, Astronomía y MatemáticasKeywordsnanowiressilicon carbideDensity functional theoryThe structure and electronic properties of Ø -SiC nanowires in the directions of growth [111] and [001] are carried out by means of density functional theory (DFT) based on the generalized gradient approximation (GGA). The dangling bonds of the surface atoms in the quantum wires are passivated using hydrogen atoms. The calculations show that both nanowires exhibit a direct energy band gap at center of Brillouin zone. The electronic band structure and band gaps show a significant dependence on the diameter, orientation and surface passivation.Sociedad Mexicana de Física A.C.2011info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdf0035-001Xhttps://www.redalyc.org/articulo.oa?id=57030389006Revista Mexicana de Física (México) Num.2 Vol.57reponame:Redalyc-UNAMinstname:Universidad Nacional Autónoma de Méxicoinstacron:UNAMenhttp://www.redalyc.org/revista.oa?id=570Revista Mexicana de Físicainfo:eu-repo/semantics/openAccessoai:redalyc.org:570303890062025-09-03T18:06:23Z
dc.title.none.fl_str_mv Theoretical study of the electronic band gap in B-SiC nanowires
title Theoretical study of the electronic band gap in B-SiC nanowires
spellingShingle Theoretical study of the electronic band gap in B-SiC nanowires
A. Trejo
Física, Astronomía y Matemáticas
Keywords
nanowires
silicon carbide
Density functional theory
title_short Theoretical study of the electronic band gap in B-SiC nanowires
title_full Theoretical study of the electronic band gap in B-SiC nanowires
title_fullStr Theoretical study of the electronic band gap in B-SiC nanowires
title_full_unstemmed Theoretical study of the electronic band gap in B-SiC nanowires
title_sort Theoretical study of the electronic band gap in B-SiC nanowires
dc.creator.none.fl_str_mv A. Trejo
M. Calvino
A. E. Ramos
E. Carvajal
M. Cruz-Irisson
author A. Trejo
author_facet A. Trejo
M. Calvino
A. E. Ramos
E. Carvajal
M. Cruz-Irisson
author_role author
author2 M. Calvino
A. E. Ramos
E. Carvajal
M. Cruz-Irisson
author2_role author
author
author
author
dc.subject.none.fl_str_mv Física, Astronomía y Matemáticas
Keywords
nanowires
silicon carbide
Density functional theory
topic Física, Astronomía y Matemáticas
Keywords
nanowires
silicon carbide
Density functional theory
description The structure and electronic properties of Ø -SiC nanowires in the directions of growth [111] and [001] are carried out by means of density functional theory (DFT) based on the generalized gradient approximation (GGA). The dangling bonds of the surface atoms in the quantum wires are passivated using hydrogen atoms. The calculations show that both nanowires exhibit a direct energy band gap at center of Brillouin zone. The electronic band structure and band gaps show a significant dependence on the diameter, orientation and surface passivation.
publishDate 2011
dc.date.none.fl_str_mv 2011
dc.type.none.fl_str_mv info:eu-repo/semantics/publishedVersion
info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv 0035-001X
https://www.redalyc.org/articulo.oa?id=57030389006
identifier_str_mv 0035-001X
url https://www.redalyc.org/articulo.oa?id=57030389006
dc.language.none.fl_str_mv en
language_invalid_str_mv en
dc.relation.none.fl_str_mv http://www.redalyc.org/revista.oa?id=570
dc.rights.none.fl_str_mv Revista Mexicana de Física
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Revista Mexicana de Física
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Sociedad Mexicana de Física A.C.
publisher.none.fl_str_mv Sociedad Mexicana de Física A.C.
dc.source.none.fl_str_mv Revista Mexicana de Física (México) Num.2 Vol.57
reponame:Redalyc-UNAM
instname:Universidad Nacional Autónoma de México
instacron:UNAM
instname_str Universidad Nacional Autónoma de México
instacron_str UNAM
institution UNAM
reponame_str Redalyc-UNAM
collection Redalyc-UNAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 14.964252

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