Hydrogen trapping in oxigen-deficient hafnium silicates
Autor(a) principal: | |
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Data de Publicação: | 2007 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/96102 |
Resumo: | Isotopic substitution, nuclear reaction analysis, and x-ray photoelectron spectroscopy were employed to show that oxygen-deficient hafnium (Hf) silicates trap hydrogen atoms. Based on this experimental observation, we used first-principles calculations to investigate the structure, energetics, and electronic properties of H interacting with O vacancies in a hafnium silicate model. We found that O vacancies close to a Si atom are energetically favored when compared to vacancies in HfO2-like regions, implying that close-to-Si O vacancies are more likely to occur. Trapping of two H atoms at a close-to-Si O vacancy passivates the vacancy-induced gap states. The first H interacts with neighboring Hf atoms, whereas the second H binds to the Si atom. |
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Fonseca, Leonardo R. C.Xavier Jr., A. L.Ribeiro Jr., MarceloDriemeier, Carlos EduardoBaumvol, Israel Jacob Rabin2014-06-06T02:06:25Z20070021-8979http://hdl.handle.net/10183/96102000605402Isotopic substitution, nuclear reaction analysis, and x-ray photoelectron spectroscopy were employed to show that oxygen-deficient hafnium (Hf) silicates trap hydrogen atoms. Based on this experimental observation, we used first-principles calculations to investigate the structure, energetics, and electronic properties of H interacting with O vacancies in a hafnium silicate model. We found that O vacancies close to a Si atom are energetically favored when compared to vacancies in HfO2-like regions, implying that close-to-Si O vacancies are more likely to occur. Trapping of two H atoms at a close-to-Si O vacancy passivates the vacancy-induced gap states. The first H interacts with neighboring Hf atoms, whereas the second H binds to the Si atom.application/pdfengJournal of applied physics. Melville. Vol. 102, no. 4 (Aug. 2007), 044108, 6p.SilicatosHáfnioMosfetAtrapamentoHidrogênioOxigênioHydrogen trapping in oxigen-deficient hafnium silicatesEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSORIGINAL000605402.pdf000605402.pdfTexto completo (inglês)application/pdf858564http://www.lume.ufrgs.br/bitstream/10183/96102/1/000605402.pdf43c5fcca0ecd185a4c47025ebccaf210MD51TEXT000605402.pdf.txt000605402.pdf.txtExtracted Texttext/plain33836http://www.lume.ufrgs.br/bitstream/10183/96102/2/000605402.pdf.txtea1a558be4b6cdbc7d380613e506f58aMD52THUMBNAIL000605402.pdf.jpg000605402.pdf.jpgGenerated Thumbnailimage/jpeg1556http://www.lume.ufrgs.br/bitstream/10183/96102/3/000605402.pdf.jpg3b9ba9a1fe14e266318fceef0f57ec5bMD5310183/961022018-10-17 08:13:33.865oai:www.lume.ufrgs.br:10183/96102Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2018-10-17T11:13:33Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Hydrogen trapping in oxigen-deficient hafnium silicates |
title |
Hydrogen trapping in oxigen-deficient hafnium silicates |
spellingShingle |
Hydrogen trapping in oxigen-deficient hafnium silicates Fonseca, Leonardo R. C. Silicatos Háfnio Mosfet Atrapamento Hidrogênio Oxigênio |
title_short |
Hydrogen trapping in oxigen-deficient hafnium silicates |
title_full |
Hydrogen trapping in oxigen-deficient hafnium silicates |
title_fullStr |
Hydrogen trapping in oxigen-deficient hafnium silicates |
title_full_unstemmed |
Hydrogen trapping in oxigen-deficient hafnium silicates |
title_sort |
Hydrogen trapping in oxigen-deficient hafnium silicates |
author |
Fonseca, Leonardo R. C. |
author_facet |
Fonseca, Leonardo R. C. Xavier Jr., A. L. Ribeiro Jr., Marcelo Driemeier, Carlos Eduardo Baumvol, Israel Jacob Rabin |
author_role |
author |
author2 |
Xavier Jr., A. L. Ribeiro Jr., Marcelo Driemeier, Carlos Eduardo Baumvol, Israel Jacob Rabin |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Fonseca, Leonardo R. C. Xavier Jr., A. L. Ribeiro Jr., Marcelo Driemeier, Carlos Eduardo Baumvol, Israel Jacob Rabin |
dc.subject.por.fl_str_mv |
Silicatos Háfnio Mosfet Atrapamento Hidrogênio Oxigênio |
topic |
Silicatos Háfnio Mosfet Atrapamento Hidrogênio Oxigênio |
description |
Isotopic substitution, nuclear reaction analysis, and x-ray photoelectron spectroscopy were employed to show that oxygen-deficient hafnium (Hf) silicates trap hydrogen atoms. Based on this experimental observation, we used first-principles calculations to investigate the structure, energetics, and electronic properties of H interacting with O vacancies in a hafnium silicate model. We found that O vacancies close to a Si atom are energetically favored when compared to vacancies in HfO2-like regions, implying that close-to-Si O vacancies are more likely to occur. Trapping of two H atoms at a close-to-Si O vacancy passivates the vacancy-induced gap states. The first H interacts with neighboring Hf atoms, whereas the second H binds to the Si atom. |
publishDate |
2007 |
dc.date.issued.fl_str_mv |
2007 |
dc.date.accessioned.fl_str_mv |
2014-06-06T02:06:25Z |
dc.type.driver.fl_str_mv |
Estrangeiro 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://hdl.handle.net/10183/96102 |
dc.identifier.issn.pt_BR.fl_str_mv |
0021-8979 |
dc.identifier.nrb.pt_BR.fl_str_mv |
000605402 |
identifier_str_mv |
0021-8979 000605402 |
url |
http://hdl.handle.net/10183/96102 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Journal of applied physics. Melville. Vol. 102, no. 4 (Aug. 2007), 044108, 6p. |
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info:eu-repo/semantics/openAccess |
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openAccess |
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application/pdf |
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