Electronic structure of defects in a boron nitride monolayer
Autor(a) principal: | |
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Data de Publicação: | 2009 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFBA |
Texto Completo: | http://www.repositorio.ufba.br/ri/handle/ri/5839 |
Resumo: | Acesso restrito: Texto completo. p. 507-512 |
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Azevedo, SérgioKaschny, J. R.Castilho, Caio Mário Castro deMota, F. de BritoAzevedo, SérgioKaschny, J. R.Castilho, Caio Mário Castro deMota, F. de Brito2012-05-11T13:52:28Z20091434-6028http://www.repositorio.ufba.br/ri/handle/ri/5839v. 67 n. 4Acesso restrito: Texto completo. p. 507-512We investigate, using first-principles calculations, the electronic structure of substitutional and vacancy defects in a boron nitride monolayer. We found that the incorporation of a substitutional carbon atom induces appreciable modification on the electronic properties, when compared to a non-defective boron nitride sheet. The incorporation of substitutional carbon impurity also induces a significant reduction of the work function. In addition, we found that defects introduce electronic states in the energy-gap region, with strong impact on the optical properties of the material. The calculation results indicate that spin polarization is obtained when substitutional impurities or vacancy defects are introduced in the structureSubmitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2012-05-11T13:52:28Z No. of bitstreams: 1 __www.springerlink.com_c...jg4vk4387044561k_fulltext.pdf: 520549 bytes, checksum: c73be5ada728cc32e4905ee4297fe3bf (MD5)Made available in DSpace on 2012-05-11T13:52:28Z (GMT). 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dc.title.pt_BR.fl_str_mv |
Electronic structure of defects in a boron nitride monolayer |
dc.title.alternative.pt_BR.fl_str_mv |
European Physical Journal B |
title |
Electronic structure of defects in a boron nitride monolayer |
spellingShingle |
Electronic structure of defects in a boron nitride monolayer Azevedo, Sérgio |
title_short |
Electronic structure of defects in a boron nitride monolayer |
title_full |
Electronic structure of defects in a boron nitride monolayer |
title_fullStr |
Electronic structure of defects in a boron nitride monolayer |
title_full_unstemmed |
Electronic structure of defects in a boron nitride monolayer |
title_sort |
Electronic structure of defects in a boron nitride monolayer |
author |
Azevedo, Sérgio |
author_facet |
Azevedo, Sérgio Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito |
author_role |
author |
author2 |
Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Azevedo, Sérgio Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito Azevedo, Sérgio Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito |
description |
Acesso restrito: Texto completo. p. 507-512 |
publishDate |
2009 |
dc.date.issued.fl_str_mv |
2009 |
dc.date.accessioned.fl_str_mv |
2012-05-11T13:52:28Z |
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 |
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http://www.repositorio.ufba.br/ri/handle/ri/5839 |
dc.identifier.issn.none.fl_str_mv |
1434-6028 |
dc.identifier.number.pt_BR.fl_str_mv |
v. 67 n. 4 |
identifier_str_mv |
1434-6028 v. 67 n. 4 |
url |
http://www.repositorio.ufba.br/ri/handle/ri/5839 |
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eng |
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