Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102375
Title: XPS and DFT study of Sn incorporation into ZnO and TiO2 host matrices by pulsed ion implantation
Authors: Zatsepin, D. A.
Boukhvalov, D. W.
Kurmaev, E. Z.
Zhidkov, I. S.
Kim, S. S.
Cui, L.
Gavrilov, N. V.
Cholakh, S. O.
Issue Date: 2015
Publisher: Wiley-VCH Verlag
Citation: XPS and DFT study of Sn incorporation into ZnO and TiO2 host matrices by pulsed ion implantation / D. A. Zatsepin, D. W. Boukhvalov, E. Z. Kurmaev, et al. — DOI 10.1002/pssb.201552145 // Physica Status Solidi (B) Basic Research. — 2015. — Vol. 252. — Iss. 8. — P. 1890-1896.
Abstract: Bulk and thin-film ZnO and TiO2 samples were doped with Sn by pulsed ion implantation and studied by means of X-ray photoelectron core-level and valence-band spectroscopy as well as density functional theory calculations for a comprehensive study of the incorporation of Sn. XPS spectral analysis showed that isovalent Sn cation substitution occurs in both zinc oxide (Sn2+→Zn2+) and titanium dioxide (Sn4+→Ti4+) for bulk and film morphologies. For TiO2 films, the implantation also led to occupation of interstitials by dopant ions, which induced the clustering of substituted and embedded Sn atoms; this did not occur in ZnO:Sn film samples. Density functional theory (DFT) formation energies were calculated of various incorporation processes, explaining the prevalence of substitutional defects in both matrices. Possible mechanisms and reasons for the observed trends in Sn incorporation into the ZnO and TiO2 matrices are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Keywords: DENSITY FUNCTIONAL THEORY
ION IMPLANTATION
SN DOPING
TITANIUM DIOXIDE
X-RAY PHOTOELECTRON SPECTROSCOPY
ZINC OXIDE
II-VI SEMICONDUCTORS
ION IMPLANTATION
IONS
OXIDE MINERALS
PHOTOELECTRONS
PHOTONS
SEMICONDUCTOR DOPING
SPECTRUM ANALYSIS
THIN FILMS
TIN COMPOUNDS
TITANIUM DIOXIDE
X RAY PHOTOELECTRON SPECTROSCOPY
ZINC OXIDE
CATION SUBSTITUTIONS
FILM MORPHOLOGY
FORMATION ENERGIES
HOST MATRICES
POSSIBLE MECHANISMS
SN DOPING
SUBSTITUTIONAL DEFECTS
X-RAY PHOTOELECTRONS
DENSITY FUNCTIONAL THEORY
URI: http://hdl.handle.net/10995/102375
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84938547156
PURE ID: 323627
6a1fd2a8-a223-4c2a-9494-8efe1f571d9b
ISSN: 3701972
DOI: 10.1002/pssb.201552145
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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