On the dynamical stability and metallic behavior of YH3 under pressure
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://repositorio.ufba.br/ri/handle/ri/13776 |
Resumo: | p. 1-3 |
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Almeida, J. Souza deKim, D. Y.Ortiz, C.Klintenberg, M.Ahuja, RajeevAlmeida, J. Souza deKim, D. Y.Ortiz, C.Klintenberg, M.Ahuja, Rajeev2013-11-19T20:24:11Z2013-11-19T20:24:11Z20090003-6951http://repositorio.ufba.br/ri/handle/ri/13776v. 94, n. 25p. 1-3We report on the behavior of structural and electronic properties of yttrium trihydride under pressure using first principles calculations. We show that YH3 undergoes a structural transformation and its high pressure phase is dynamically stable under pressure since the peak at the imaginary frequencies of the phonon density of states, which account for the structural instability disappears at high pressure. Additionally, our GW calculations indicate a metallization of the high pressure cubic phase of YH3.Submitted by Suelen Reis (suziy.ellen@gmail.com) on 2013-10-02T14:13:14Z No. of bitstreams: 1 ApplPhysLett_94_251913.pdf: 601611 bytes, checksum: a567b73373291b7019f381e7c7ee45b6 (MD5)Approved for entry into archive by Rodrigo Meirelles (rodrigomei@ufba.br) on 2013-11-19T20:24:10Z (GMT) No. of bitstreams: 1 ApplPhysLett_94_251913.pdf: 601611 bytes, checksum: a567b73373291b7019f381e7c7ee45b6 (MD5)Made available in DSpace on 2013-11-19T20:24:11Z (GMT). No. of bitstreams: 1 ApplPhysLett_94_251913.pdf: 601611 bytes, checksum: a567b73373291b7019f381e7c7ee45b6 (MD5) Previous issue date: 2009http://dx.doi.org/10.1063/1.3155505reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAOn the dynamical stability and metallic behavior of YH3 under pressureApplied Physics Lettersinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleenginfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain1365https://repositorio.ufba.br/bitstream/ri/13776/2/license.txt5371a150bdc863f78dcf39281543bd86MD52ORIGINALApplPhysLett_94_251913.pdfApplPhysLett_94_251913.pdfapplication/pdf601611https://repositorio.ufba.br/bitstream/ri/13776/1/ApplPhysLett_94_251913.pdfa567b73373291b7019f381e7c7ee45b6MD51TEXTApplPhysLett_94_251913.pdf.txtApplPhysLett_94_251913.pdf.txtExtracted texttext/plain15971https://repositorio.ufba.br/bitstream/ri/13776/3/ApplPhysLett_94_251913.pdf.txt87dde22166b585524ab4ae898a7519c2MD53ri/137762022-08-08 13:17:26.512oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-08-08T16:17:26Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false |
dc.title.pt_BR.fl_str_mv |
On the dynamical stability and metallic behavior of YH3 under pressure |
dc.title.alternative.pt_BR.fl_str_mv |
Applied Physics Letters |
title |
On the dynamical stability and metallic behavior of YH3 under pressure |
spellingShingle |
On the dynamical stability and metallic behavior of YH3 under pressure Almeida, J. Souza de |
title_short |
On the dynamical stability and metallic behavior of YH3 under pressure |
title_full |
On the dynamical stability and metallic behavior of YH3 under pressure |
title_fullStr |
On the dynamical stability and metallic behavior of YH3 under pressure |
title_full_unstemmed |
On the dynamical stability and metallic behavior of YH3 under pressure |
title_sort |
On the dynamical stability and metallic behavior of YH3 under pressure |
author |
Almeida, J. Souza de |
author_facet |
Almeida, J. Souza de Kim, D. Y. Ortiz, C. Klintenberg, M. Ahuja, Rajeev |
author_role |
author |
author2 |
Kim, D. Y. Ortiz, C. Klintenberg, M. Ahuja, Rajeev |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Almeida, J. Souza de Kim, D. Y. Ortiz, C. Klintenberg, M. Ahuja, Rajeev Almeida, J. Souza de Kim, D. Y. Ortiz, C. Klintenberg, M. Ahuja, Rajeev |
description |
p. 1-3 |
publishDate |
2009 |
dc.date.issued.fl_str_mv |
2009 |
dc.date.accessioned.fl_str_mv |
2013-11-19T20:24:11Z |
dc.date.available.fl_str_mv |
2013-11-19T20:24:11Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
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publishedVersion |
dc.identifier.uri.fl_str_mv |
http://repositorio.ufba.br/ri/handle/ri/13776 |
dc.identifier.issn.none.fl_str_mv |
0003-6951 |
dc.identifier.number.pt_BR.fl_str_mv |
v. 94, n. 25 |
identifier_str_mv |
0003-6951 v. 94, n. 25 |
url |
http://repositorio.ufba.br/ri/handle/ri/13776 |
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eng |
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http://dx.doi.org/10.1063/1.3155505 |
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