Electronic structure of disordered Fe-V alloys
Autor(a) principal: | |
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Data de Publicação: | 1998 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/104203 |
Resumo: | The first-principles discrete variational method is employed to investigate the electronic structure and local magnetic properties of disordered Fe-V alloys. The spin-polarized case is considered in the formalism of the local-spin-density approximation, with the exchange-correlation term of von Barth–Hedin. The effect on the local magnetic properties of adding V atoms in the immediate neighborhood of iron atoms is investigated. The partial density of states, hyperfine field (Hc), magnetic moment (u), and isomer shift are obtained for the central atom of the cluster. For the impurity V atom in the bcc iron host the calculated values for Hc and u are - 203 kG and - 0.86 uB , respectively. The isolated Fe atom in a bcc vanadium host exhibits a collapsed moment and acts as a receptor for electrons. In ordered alloys the calculations indicate also a vanishing moment at iron sites. |
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Krause, Joao CarlosPaduani, CledersonSchaf, JacobCosta Junior, Moacir Indio da2014-10-07T02:11:14Z19981098-0121http://hdl.handle.net/10183/104203000148527The first-principles discrete variational method is employed to investigate the electronic structure and local magnetic properties of disordered Fe-V alloys. The spin-polarized case is considered in the formalism of the local-spin-density approximation, with the exchange-correlation term of von Barth–Hedin. The effect on the local magnetic properties of adding V atoms in the immediate neighborhood of iron atoms is investigated. The partial density of states, hyperfine field (Hc), magnetic moment (u), and isomer shift are obtained for the central atom of the cluster. For the impurity V atom in the bcc iron host the calculated values for Hc and u are - 203 kG and - 0.86 uB , respectively. The isolated Fe atom in a bcc vanadium host exhibits a collapsed moment and acts as a receptor for electrons. In ordered alloys the calculations indicate also a vanishing moment at iron sites.application/pdfengPhysical review. B, Condensed matter and materials physics. Woodbury. Vol. 57, no. 2 (Jan. 1998), p. 857-861Física da matéria condensadaLigas : Ferro : Vanadio : Estruturas eletronicas : Altas temperaturasElectronic structure of disordered Fe-V alloysEstrangeiroinfo: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:UFRGSORIGINAL000148527.pdf000148527.pdfTexto completo (inglês)application/pdf96717http://www.lume.ufrgs.br/bitstream/10183/104203/1/000148527.pdfb16bce230554bde5d803a6f86c3ef0c7MD51TEXT000148527.pdf.txt000148527.pdf.txtExtracted Texttext/plain19038http://www.lume.ufrgs.br/bitstream/10183/104203/2/000148527.pdf.txt797b13a810e2c356459d1b9b0c49a775MD52THUMBNAIL000148527.pdf.jpg000148527.pdf.jpgGenerated Thumbnailimage/jpeg2070http://www.lume.ufrgs.br/bitstream/10183/104203/3/000148527.pdf.jpg54cb109f695b9354cd11b6e9766df382MD5310183/1042032018-10-09 08:00:07.468oai:www.lume.ufrgs.br:10183/104203Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2018-10-09T11:00:07Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Electronic structure of disordered Fe-V alloys |
title |
Electronic structure of disordered Fe-V alloys |
spellingShingle |
Electronic structure of disordered Fe-V alloys Krause, Joao Carlos Física da matéria condensada Ligas : Ferro : Vanadio : Estruturas eletronicas : Altas temperaturas |
title_short |
Electronic structure of disordered Fe-V alloys |
title_full |
Electronic structure of disordered Fe-V alloys |
title_fullStr |
Electronic structure of disordered Fe-V alloys |
title_full_unstemmed |
Electronic structure of disordered Fe-V alloys |
title_sort |
Electronic structure of disordered Fe-V alloys |
author |
Krause, Joao Carlos |
author_facet |
Krause, Joao Carlos Paduani, Clederson Schaf, Jacob Costa Junior, Moacir Indio da |
author_role |
author |
author2 |
Paduani, Clederson Schaf, Jacob Costa Junior, Moacir Indio da |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Krause, Joao Carlos Paduani, Clederson Schaf, Jacob Costa Junior, Moacir Indio da |
dc.subject.por.fl_str_mv |
Física da matéria condensada Ligas : Ferro : Vanadio : Estruturas eletronicas : Altas temperaturas |
topic |
Física da matéria condensada Ligas : Ferro : Vanadio : Estruturas eletronicas : Altas temperaturas |
description |
The first-principles discrete variational method is employed to investigate the electronic structure and local magnetic properties of disordered Fe-V alloys. The spin-polarized case is considered in the formalism of the local-spin-density approximation, with the exchange-correlation term of von Barth–Hedin. The effect on the local magnetic properties of adding V atoms in the immediate neighborhood of iron atoms is investigated. The partial density of states, hyperfine field (Hc), magnetic moment (u), and isomer shift are obtained for the central atom of the cluster. For the impurity V atom in the bcc iron host the calculated values for Hc and u are - 203 kG and - 0.86 uB , respectively. The isolated Fe atom in a bcc vanadium host exhibits a collapsed moment and acts as a receptor for electrons. In ordered alloys the calculations indicate also a vanishing moment at iron sites. |
publishDate |
1998 |
dc.date.issued.fl_str_mv |
1998 |
dc.date.accessioned.fl_str_mv |
2014-10-07T02:11:14Z |
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/10183/104203 |
dc.identifier.issn.pt_BR.fl_str_mv |
1098-0121 |
dc.identifier.nrb.pt_BR.fl_str_mv |
000148527 |
identifier_str_mv |
1098-0121 000148527 |
url |
http://hdl.handle.net/10183/104203 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Physical review. B, Condensed matter and materials physics. Woodbury. Vol. 57, no. 2 (Jan. 1998), p. 857-861 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
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application/pdf |
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