Tuning intrinsic defects in ZnO films by controlling the vacuum annealing temperature: An experimental and theoretical approach

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dc.contributor.authorPaz-Corrales, K. J.
dc.contributor.authorVilca-Huayhua, C. A.
dc.contributor.authorAragón, F. F.H.
dc.contributor.authorVillegas-Lelovsky, L. [UNESP]
dc.contributor.authorCoaquira, J. A.H.
dc.contributor.authorDa Silva, S. W.
dc.contributor.authorMarques, G. E.
dc.contributor.authorTeodoro, M. D.
dc.contributor.authorPacheco-Salazar, D. G.
dc.contributor.institutionUniversidad Nacional de San Agustín de Arequipa
dc.contributor.institutionUniversidade de Brasília (UnB)
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.date.accessioned2023-03-01T20:52:44Z
dc.date.available2023-03-01T20:52:44Z
dc.date.issued2022-07-01
dc.description.abstractThe control of native defects in the ZnO material is strongly important for a wide range of technological applications. In this paper, native defects are tuned via the post-thermal treatment of ZnO films in a high vacuum atmosphere. The microstructure of the as-grown ZnO film shows columnar growth and strongly polar-oriented grains along the c-plane (002). Also, the obtained results indicate that the as-grown film contains a high amount of intrinsic defects and strong lattice distortions. After the thermal annealing, the ZnO films display significant structural changes, which are reflected in their electrical, vibrational, and optical properties. Our findings suggest that these changes were attributed to the selective cleanup effect of the native defects and the partial deoxidation process mainly on the exposed particle surface (at high temperatures) tuned up by the thermal annealing temperature. According to DFT calculations, oxygen vacancies (V O ) show lower energy, followed by zinc vacancies (V Zn ) and oxygen interstitials (O i ) indicating that V O defect is the most stable in ZnO. That sequence of stability could suggest the sequence of the annihilation of those defects, which is in line with our experimental findings and also in agreement with literature results.en
dc.description.affiliationUniversidad Nacional de San Agustín de Arequipa, Av.Independencia s/n
dc.description.affiliationNucleo de Física Aplicada Instituto de Física Universidade de Brasília, DF
dc.description.affiliationDepartamento de Física IGCE Universidade Estadual Paulista, SP
dc.description.affiliationDepartamento de Física Universidade Federal de São Carlos, SP
dc.description.affiliationUnespDepartamento de Física IGCE Universidade Estadual Paulista, SP
dc.identifierhttp://dx.doi.org/10.1088/1402-4896/ac758b
dc.identifier.citationPhysica Scripta, v. 97, n. 7, 2022.
dc.identifier.doi10.1088/1402-4896/ac758b
dc.identifier.issn1402-4896
dc.identifier.issn0031-8949
dc.identifier.scopus2-s2.0-85132849588
dc.identifier.urihttp://hdl.handle.net/11449/241230
dc.language.isoeng
dc.relation.ispartofPhysica Scripta
dc.sourceScopus
dc.subjectband gap tuning
dc.subjectintrinsic ZnO defects
dc.subjectpolycrystalline films
dc.subjectvacuum thermal annealing
dc.titleTuning intrinsic defects in ZnO films by controlling the vacuum annealing temperature: An experimental and theoretical approachen
dc.typeArtigo
unesp.author.orcid0000-0001-7170-5508[1]
unesp.author.orcid0000-0002-6496-0065[2]
unesp.author.orcid0000-0001-5336-1131 0000-0001-5336-1131[3]
unesp.author.orcid0000-0002-3408-3612 0000-0002-3408-3612[4]
unesp.author.orcid0000-0002-8782-6838[5]
unesp.author.orcid0000-0003-4483-9687[6]
unesp.author.orcid0000-0002-8608-6508[7]
unesp.author.orcid0000-0002-3557-5555[8]
unesp.author.orcid0000-0003-4685-2244[9]

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