On the dynamical stability and metallic behavior of YH3 under pressure

Detalhes bibliográficos
Autor(a) principal: Almeida, J. Souza de
Data de Publicação: 2009
Outros Autores: Kim, D. Y., Ortiz, C., Klintenberg, M., Ahuja, Rajeev
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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spelling 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
status_str 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
dc.language.iso.fl_str_mv eng
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