Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations

Autores
Muñoz, Emiliano Luis; Mercurio, Marcio E.; Cordeiro, Moacir R.; Pereira, Luciano F.D.; Carbonari, Artur W.; Rentería, Mario
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, we present results of Time-Differential gamma-gamma Perturbed-Angular-Correlations (PAC) experiments performed in 111Cd-doped ZnO semiconductor. The PAC technique has been applied in order to characterize  the electric-field-gradient (EFG) tensor at (111In (EC)) 111Cd nuclei located, as was later demonstrated, at defect-free cation sites of the ZnO host structure. The PAC experiments were performed in the temperature range 77 K-1075 K. At first glance, the unexpected presence of low-intensity dynamic hyperfine interactions was observed, which were analyzed with a perturbation factor based on the Bäverstam and Othaz model. The experimental EFG results were compared with ab initio calculations performed with the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) method, in the framework of the Density Functional Theory (DFT), using the Wien2K code. The presence of the dynamic hyperfine interactions has been analyzed enlighten by the FP-APW+lo calculations of the EFG performed as a function of the charge state of the cell. We could correlate the large strength of the dynamic hyperfine interaction with the strong variation of the EFG due to changes in the electronic charge distribution in the Cd vicinity during the time-window of the PAC measurement. It was also revealed that the Cd impurity decays to a final stable neutral charge state (Cd2+) fast enough (in few ns) to  produce the nearly undamped observed PAC spectra.
Fil: Muñoz, Emiliano Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Mercurio, Marcio E.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Cordeiro, Moacir R.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Pereira, Luciano F.D.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Carbonari, Artur W.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Rentería, Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Materia
ZnO
Semiconductor
EFG
Dynamic Hyperfine Interactions
PAC
ab initio calculations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/271291
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/271291
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculationsMuñoz, Emiliano LuisMercurio, Marcio E.Cordeiro, Moacir R.Pereira, Luciano F.D.Carbonari, Artur W.Rentería, MarioZnOSemiconductorEFGDynamic Hyperfine InteractionsPACab initio calculationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this work, we present results of Time-Differential gamma-gamma Perturbed-Angular-Correlations (PAC) experiments performed in 111Cd-doped ZnO semiconductor. The PAC technique has been applied in order to characterize  the electric-field-gradient (EFG) tensor at (111In (EC)) 111Cd nuclei located, as was later demonstrated, at defect-free cation sites of the ZnO host structure. The PAC experiments were performed in the temperature range 77 K-1075 K. At first glance, the unexpected presence of low-intensity dynamic hyperfine interactions was observed, which were analyzed with a perturbation factor based on the Bäverstam and Othaz model. The experimental EFG results were compared with ab initio calculations performed with the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) method, in the framework of the Density Functional Theory (DFT), using the Wien2K code. The presence of the dynamic hyperfine interactions has been analyzed enlighten by the FP-APW+lo calculations of the EFG performed as a function of the charge state of the cell. We could correlate the large strength of the dynamic hyperfine interaction with the strong variation of the EFG due to changes in the electronic charge distribution in the Cd vicinity during the time-window of the PAC measurement. It was also revealed that the Cd impurity decays to a final stable neutral charge state (Cd2+) fast enough (in few ns) to  produce the nearly undamped observed PAC spectra.Fil: Muñoz, Emiliano Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Mercurio, Marcio E.. Instituto de Pesquisas Energéticas y Nucleares; BrasilFil: Cordeiro, Moacir R.. Instituto de Pesquisas Energéticas y Nucleares; BrasilFil: Pereira, Luciano F.D.. Instituto de Pesquisas Energéticas y Nucleares; BrasilFil: Carbonari, Artur W.. Instituto de Pesquisas Energéticas y Nucleares; BrasilFil: Rentería, Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaElsevier Science2012-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/271291Muñoz, Emiliano Luis; Mercurio, Marcio E.; Cordeiro, Moacir R.; Pereira, Luciano F.D.; Carbonari, Artur W.; et al.; Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations; Elsevier Science; Physica B: Condensed Matter; 407; 16; 8-2012; 3121-31240921-4526CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0921452611012348info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physb.2011.12.041info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:16:24Zoai:ri.conicet.gov.ar:11336/271291instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:16:24.402CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
title Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
spellingShingle Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
Muñoz, Emiliano Luis
ZnO
Semiconductor
EFG
Dynamic Hyperfine Interactions
PAC
ab initio calculations
title_short Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
title_full Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
title_fullStr Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
title_full_unstemmed Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
title_sort Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations
dc.creator.none.fl_str_mv Muñoz, Emiliano Luis
Mercurio, Marcio E.
Cordeiro, Moacir R.
Pereira, Luciano F.D.
Carbonari, Artur W.
Rentería, Mario
author Muñoz, Emiliano Luis
author_facet Muñoz, Emiliano Luis
Mercurio, Marcio E.
Cordeiro, Moacir R.
Pereira, Luciano F.D.
Carbonari, Artur W.
Rentería, Mario
author_role author
author2 Mercurio, Marcio E.
Cordeiro, Moacir R.
Pereira, Luciano F.D.
Carbonari, Artur W.
Rentería, Mario
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv ZnO
Semiconductor
EFG
Dynamic Hyperfine Interactions
PAC
ab initio calculations
topic ZnO
Semiconductor
EFG
Dynamic Hyperfine Interactions
PAC
ab initio calculations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work, we present results of Time-Differential gamma-gamma Perturbed-Angular-Correlations (PAC) experiments performed in 111Cd-doped ZnO semiconductor. The PAC technique has been applied in order to characterize  the electric-field-gradient (EFG) tensor at (111In (EC)) 111Cd nuclei located, as was later demonstrated, at defect-free cation sites of the ZnO host structure. The PAC experiments were performed in the temperature range 77 K-1075 K. At first glance, the unexpected presence of low-intensity dynamic hyperfine interactions was observed, which were analyzed with a perturbation factor based on the Bäverstam and Othaz model. The experimental EFG results were compared with ab initio calculations performed with the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) method, in the framework of the Density Functional Theory (DFT), using the Wien2K code. The presence of the dynamic hyperfine interactions has been analyzed enlighten by the FP-APW+lo calculations of the EFG performed as a function of the charge state of the cell. We could correlate the large strength of the dynamic hyperfine interaction with the strong variation of the EFG due to changes in the electronic charge distribution in the Cd vicinity during the time-window of the PAC measurement. It was also revealed that the Cd impurity decays to a final stable neutral charge state (Cd2+) fast enough (in few ns) to  produce the nearly undamped observed PAC spectra.
Fil: Muñoz, Emiliano Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Mercurio, Marcio E.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Cordeiro, Moacir R.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Pereira, Luciano F.D.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Carbonari, Artur W.. Instituto de Pesquisas Energéticas y Nucleares; Brasil
Fil: Rentería, Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
description In this work, we present results of Time-Differential gamma-gamma Perturbed-Angular-Correlations (PAC) experiments performed in 111Cd-doped ZnO semiconductor. The PAC technique has been applied in order to characterize  the electric-field-gradient (EFG) tensor at (111In (EC)) 111Cd nuclei located, as was later demonstrated, at defect-free cation sites of the ZnO host structure. The PAC experiments were performed in the temperature range 77 K-1075 K. At first glance, the unexpected presence of low-intensity dynamic hyperfine interactions was observed, which were analyzed with a perturbation factor based on the Bäverstam and Othaz model. The experimental EFG results were compared with ab initio calculations performed with the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) method, in the framework of the Density Functional Theory (DFT), using the Wien2K code. The presence of the dynamic hyperfine interactions has been analyzed enlighten by the FP-APW+lo calculations of the EFG performed as a function of the charge state of the cell. We could correlate the large strength of the dynamic hyperfine interaction with the strong variation of the EFG due to changes in the electronic charge distribution in the Cd vicinity during the time-window of the PAC measurement. It was also revealed that the Cd impurity decays to a final stable neutral charge state (Cd2+) fast enough (in few ns) to  produce the nearly undamped observed PAC spectra.
publishDate 2012
dc.date.none.fl_str_mv 2012-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/271291
Muñoz, Emiliano Luis; Mercurio, Marcio E.; Cordeiro, Moacir R.; Pereira, Luciano F.D.; Carbonari, Artur W.; et al.; Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations; Elsevier Science; Physica B: Condensed Matter; 407; 16; 8-2012; 3121-3124
0921-4526
CONICET Digital
CONICET
url http://hdl.handle.net/11336/271291
identifier_str_mv Muñoz, Emiliano Luis; Mercurio, Marcio E.; Cordeiro, Moacir R.; Pereira, Luciano F.D.; Carbonari, Artur W.; et al.; Dynamic hyperfine interactions in 111In(111Cd)-doped ZnO semiconductor: PAC results supported by ab initio calculations; Elsevier Science; Physica B: Condensed Matter; 407; 16; 8-2012; 3121-3124
0921-4526
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0921452611012348
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physb.2011.12.041
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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