Cobalt doping effects in zinc oxide

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dc.contributor.authorPEREIRA, LUCIANO F.D.
dc.contributor.authorFERREIRA, WANDERSON L.
dc.contributor.authorCORREA, BRUNO S.
dc.contributor.authorCOSTA, MESSIAS S.
dc.contributor.authorCOSTA, CLEIDILANE S.
dc.contributor.authorFILHO, ARNALDO A.M.
dc.contributor.authorSALES, TATIANE S.N.
dc.contributor.authorBOSCH-SANTOS, BRIANNA
dc.contributor.authorSCHELL, JULIANA
dc.contributor.authorBURIMOVA, ANASTASIA
dc.contributor.authorSAXENA, RAJENDRA N.
dc.contributor.authorCABRERA-PASCA, GABRIEL A.
dc.contributor.authorCARBONARI, ARTUR W.
dc.coverageInternacional
dc.date.accessioned2024-04-04T19:02:29Z
dc.date.available2024-04-04T19:02:29Z
dc.date.issued2024
dc.description.abstractIn this paper, we investigate the solubility effects of Co in ZnO (Zn1−xCoxO, where x = 0, 0.03, 0.05, 0.1, 0.2, 0.25, 0.4, 0.8, and 1) by combining the results of perturbed angular correlation (PAC) spectroscopy using highly diluted 111Cd as probe nuclei and ab initio calculations based on spin-density functional theory (SDFT). This combined approach enables us to characterize the local structure around Cd ions, where, through PAC technique, it was possible to measure the EFG as a function of temperature and Co concentration and thereby monitor the changes in the structure and the Co solubility threshold in ZnO and the ZnO/CoO/Co3O4 mixed phase. The full-potential linear augmented plane wave plus local orbital (APW+lo) formalism were used here to describe the electronic structure of the supercells, including the atomic relaxations. These Ab initio calculations show an interesting behavior of the Cd and Co impurity levels in the band structure of ZnO, which explains the experimental results in terms of the origin of EFG and the evidence of ferromagnetic response.
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Ensino Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipBundesministerium für Bildung und Forschung (BMBF)
dc.description.sponsorshipIDFAPESP: 12/11104-9; 14/14001-1; 17/50332-0
dc.description.sponsorshipIDCAPES: 88887513796/2020-00
dc.description.sponsorshipIDCNPq: 142070/2019-0; 307322/2021-1; 444323/2018-0
dc.description.sponsorshipIDBMBF: 05K16PGA; 05K22PGA
dc.format.extent1-15
dc.identifier.citationPEREIRA, LUCIANO F.D.; FERREIRA, WANDERSON L.; CORREA, BRUNO S.; COSTA, MESSIAS S.; COSTA, CLEIDILANE S.; FILHO, ARNALDO A.M.; SALES, TATIANE S.N.; BOSCH-SANTOS, BRIANNA; SCHELL, JULIANA; BURIMOVA, ANASTASIA; SAXENA, RAJENDRA N.; CABRERA-PASCA, GABRIEL A.; CARBONARI, ARTUR W. Cobalt doping effects in zinc oxide: a combined experimental and ab initio approach. <b>Crystals</b>, v. 14, n. 1, p. 1-15, 2024. DOI: <a href="https://dx.doi.org/10.3390/cryst14010051">10.3390/cryst14010051</a>. Disponível em: https://repositorio.ipen.br/handle/123456789/48016.
dc.identifier.doi10.3390/cryst14010051
dc.identifier.fasciculo1
dc.identifier.issn2073-4352
dc.identifier.orcidhttps://orcid.org/0000-0002-4499-5949
dc.identifier.percentilfi55.2
dc.identifier.percentilfiCiteScore56.25
dc.identifier.urihttps://repositorio.ipen.br/handle/123456789/48016
dc.identifier.vol14
dc.relation.ispartofCrystals
dc.rightsopenAccess
dc.subjectdoped materials
dc.subjectcobalt
dc.subjectzinc oxides
dc.subjectelectric fields
dc.subjectperturbed angular correlation
dc.subjectsolid state physics
dc.subjectsolubility
dc.titleCobalt doping effects in zinc oxide
dc.typeArtigo de periódico
dspace.entity.typePublication
ipen.autorLUCIANO FABRICIO DIAS PEREIRA
ipen.autorWANDERSON LOBATO FERREIRA
ipen.autorBRUNO SANTOS CORREA
ipen.autorARNALDO ALVES MIRANDA FILHO
ipen.autorTATIANE DA SILVA NASCIMENTO
ipen.autorBRIANNA BOSCH DOS SANTOS
ipen.autorANASTASIA BURIMOVA
ipen.autorRAJENDRA NARAIN SAXENA
ipen.autorARTUR WILSON CARBONARI
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ipen.contributor.ipenauthorLUCIANO FABRICIO DIAS PEREIRA
ipen.contributor.ipenauthorWANDERSON LOBATO FERREIRA
ipen.contributor.ipenauthorBRUNO SANTOS CORREA
ipen.contributor.ipenauthorARNALDO ALVES MIRANDA FILHO
ipen.contributor.ipenauthorTATIANE DA SILVA NASCIMENTO
ipen.contributor.ipenauthorBRIANNA BOSCH DOS SANTOS
ipen.contributor.ipenauthorANASTASIA BURIMOVA
ipen.contributor.ipenauthorRAJENDRA NARAIN SAXENA
ipen.contributor.ipenauthorARTUR WILSON CARBONARI
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ipen.subtituloa combined experimental and ab initio approach
ipen.type.genreArtigo
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sigepi.autor.atividadeLUCIANO FABRICIO DIAS PEREIRA:3346:310:S
sigepi.autor.atividadeWANDERSON LOBATO FERREIRA:14858:310:N
sigepi.autor.atividadeBRUNO SANTOS CORREA:15164:310:N
sigepi.autor.atividadeARNALDO ALVES MIRANDA FILHO:15159:310:N
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sigepi.autor.atividadeRAJENDRA NARAIN SAXENA:1329:310:N
sigepi.autor.atividadeARTUR WILSON CARBONARI:1437:310:N
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