Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/169594 |
Resumo: | We present a combined theoretical and experimental study of the energy loss of H2 + molecular ions interacting with thin oxide and carbon films.As a result of quantum mechanical interference of the target electrons, the energy loss of a molecular projectile differs from the sum of the energy losses of individual atomic projectiles. This difference is known as the vicinage effect. Calculations based on the time-dependent density functional theory allow the first-principles description of the dynamics of target excitations produced by the correlated motion of the nucleons forming the molecule. We investigate in detail the dependence of the vicinage effect on the speed and charge state of the projectile and find an excellent agreement between calculated and measured data. |
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Koval, NataliaBorisov, Andrei G.Rosa, Lucio Flavio dos SantosStori, Elis MouraDias, Johnny FerrazGrande, Pedro LuisSanchez-Portal, DanielDiez Muino, Ricardo2017-10-20T02:26:08Z20171050-2947http://hdl.handle.net/10183/169594001044466We present a combined theoretical and experimental study of the energy loss of H2 + molecular ions interacting with thin oxide and carbon films.As a result of quantum mechanical interference of the target electrons, the energy loss of a molecular projectile differs from the sum of the energy losses of individual atomic projectiles. This difference is known as the vicinage effect. Calculations based on the time-dependent density functional theory allow the first-principles description of the dynamics of target excitations produced by the correlated motion of the nucleons forming the molecule. We investigate in detail the dependence of the vicinage effect on the speed and charge state of the projectile and find an excellent agreement between calculated and measured data.application/pdfengPhysical review. A, Atomic, molecular, and optical physics. New York. Vol. 95, no. 6 (June 2017), 062707, 6 p.Perda de energia de particulasTeoria do funcional de densidadeFilmes finosVicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theoryEstrangeiroinfo: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:UFRGSORIGINAL001044466.pdf001044466.pdfTexto completo (inglês)application/pdf874453http://www.lume.ufrgs.br/bitstream/10183/169594/1/001044466.pdfddd487019f48159a85b66e74f3f96244MD51TEXT001044466.pdf.txt001044466.pdf.txtExtracted Texttext/plain27243http://www.lume.ufrgs.br/bitstream/10183/169594/2/001044466.pdf.txtf1764edaa6e7772d3a159f7e85eaa607MD52THUMBNAIL001044466.pdf.jpg001044466.pdf.jpgGenerated Thumbnailimage/jpeg2130http://www.lume.ufrgs.br/bitstream/10183/169594/3/001044466.pdf.jpg1cac953e70e6a5d59ce001f24b1ea744MD5310183/1695942024-05-24 06:41:40.169006oai:www.lume.ufrgs.br:10183/169594Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2024-05-24T09:41:40Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
title |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
spellingShingle |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory Koval, Natalia Perda de energia de particulas Teoria do funcional de densidade Filmes finos |
title_short |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
title_full |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
title_fullStr |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
title_full_unstemmed |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
title_sort |
Vicinage effect in the energy loss of H2 dimers : experiment and calculations based on time-dependent density-functional theory |
author |
Koval, Natalia |
author_facet |
Koval, Natalia Borisov, Andrei G. Rosa, Lucio Flavio dos Santos Stori, Elis Moura Dias, Johnny Ferraz Grande, Pedro Luis Sanchez-Portal, Daniel Diez Muino, Ricardo |
author_role |
author |
author2 |
Borisov, Andrei G. Rosa, Lucio Flavio dos Santos Stori, Elis Moura Dias, Johnny Ferraz Grande, Pedro Luis Sanchez-Portal, Daniel Diez Muino, Ricardo |
author2_role |
author author author author author author author |
dc.contributor.author.fl_str_mv |
Koval, Natalia Borisov, Andrei G. Rosa, Lucio Flavio dos Santos Stori, Elis Moura Dias, Johnny Ferraz Grande, Pedro Luis Sanchez-Portal, Daniel Diez Muino, Ricardo |
dc.subject.por.fl_str_mv |
Perda de energia de particulas Teoria do funcional de densidade Filmes finos |
topic |
Perda de energia de particulas Teoria do funcional de densidade Filmes finos |
description |
We present a combined theoretical and experimental study of the energy loss of H2 + molecular ions interacting with thin oxide and carbon films.As a result of quantum mechanical interference of the target electrons, the energy loss of a molecular projectile differs from the sum of the energy losses of individual atomic projectiles. This difference is known as the vicinage effect. Calculations based on the time-dependent density functional theory allow the first-principles description of the dynamics of target excitations produced by the correlated motion of the nucleons forming the molecule. We investigate in detail the dependence of the vicinage effect on the speed and charge state of the projectile and find an excellent agreement between calculated and measured data. |
publishDate |
2017 |
dc.date.accessioned.fl_str_mv |
2017-10-20T02:26:08Z |
dc.date.issued.fl_str_mv |
2017 |
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/10183/169594 |
dc.identifier.issn.pt_BR.fl_str_mv |
1050-2947 |
dc.identifier.nrb.pt_BR.fl_str_mv |
001044466 |
identifier_str_mv |
1050-2947 001044466 |
url |
http://hdl.handle.net/10183/169594 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Physical review. A, Atomic, molecular, and optical physics. New York. Vol. 95, no. 6 (June 2017), 062707, 6 p. |
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info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
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