Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO

Detalhes bibliográficos
Autor(a) principal: Zhang,Zhi- Hong
Data de Publicação: 2010
Outros Autores: Wu,Shao- Yi, Xu,Pei, Li-Li,Li
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332010000300020
Resumo: The electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni2+ and Co+ in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d8 ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni2+ as compared with those for Co+ can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.
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spelling Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgOImpurity and defectsElectron paramagnetic resonanceNi2+Co+MgOThe electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni2+ and Co+ in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d8 ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni2+ as compared with those for Co+ can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.Sociedade Brasileira de Física2010-09-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332010000300020Brazilian Journal of Physics v.40 n.3 2010reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332010000300020info:eu-repo/semantics/openAccessZhang,Zhi- HongWu,Shao- YiXu,PeiLi-Li,Lieng2010-09-27T00:00:00Zoai:scielo:S0103-97332010000300020Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2010-09-27T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
title Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
spellingShingle Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
Zhang,Zhi- Hong
Impurity and defects
Electron paramagnetic resonance
Ni2+
Co+
MgO
title_short Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
title_full Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
title_fullStr Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
title_full_unstemmed Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
title_sort Theoretical studies of the EPR parameters for Ni2+ and Co+ in MgO
author Zhang,Zhi- Hong
author_facet Zhang,Zhi- Hong
Wu,Shao- Yi
Xu,Pei
Li-Li,Li
author_role author
author2 Wu,Shao- Yi
Xu,Pei
Li-Li,Li
author2_role author
author
author
dc.contributor.author.fl_str_mv Zhang,Zhi- Hong
Wu,Shao- Yi
Xu,Pei
Li-Li,Li
dc.subject.por.fl_str_mv Impurity and defects
Electron paramagnetic resonance
Ni2+
Co+
MgO
topic Impurity and defects
Electron paramagnetic resonance
Ni2+
Co+
MgO
description The electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni2+ and Co+ in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d8 ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni2+ as compared with those for Co+ can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.
publishDate 2010
dc.date.none.fl_str_mv 2010-09-01
dc.type.driver.fl_str_mv 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://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332010000300020
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332010000300020
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332010000300020
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.40 n.3 2010
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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