Structural defects induced by Fe-ion implantation in TiO{sub 2}

X-ray photoelectron spectroscopy and resonant x-ray emission spectroscopy measurements of pellet and thin film forms of TiO{sub 2} with implanted Fe ions are presented and discussed. The findings indicate that Fe-implantation in a TiO{sub 2} pellet sample induces heterovalent cation substitution (Fe...

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Bibliographic Details
Published in:Journal of applied physics 2014-02, Vol.115 (5)
Main Authors: Leedahl, B., Green, R. J., McLeod, J. A., Moewes, A., Zatsepin, D. A., Zhidkov, I. S., Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620990 Yekaterinburg, Boukhvalov, D. W., Kim, S. S., Kurmaev, E. Z., Gavrilov, N. V., Cholakh, S. O.
Format: Article
Language:English
Subjects:
CATIONS
COMPARATIVE EVALUATIONS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL DOPING
DENSITY FUNCTIONAL METHOD
EMISSION SPECTROSCOPY
FORMATION HEAT
INTERSTITIALS
ION IMPLANTATION
IRON IONS
SURFACES
THIN FILMS
TITANIUM OXIDES
X-RAY PHOTOELECTRON SPECTROSCOPY
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Summary:X-ray photoelectron spectroscopy and resonant x-ray emission spectroscopy measurements of pellet and thin film forms of TiO{sub 2} with implanted Fe ions are presented and discussed. The findings indicate that Fe-implantation in a TiO{sub 2} pellet sample induces heterovalent cation substitution (Fe{sup 2+} → Ti{sup 4+}) beneath the surface region. But in thin film samples, the clustering of Fe atoms is primarily detected. In addition to this, significant amounts of secondary phases of Fe{sup 3+} are detected on the surface of all doped samples due to oxygen exposure. These experimental findings are compared with density functional theory calculations of formation energies for different configurations of structural defects in the implanted TiO{sub 2}:Fe system. According to our calculations, the clustering of Fe-atoms in TiO{sub 2}:Fe thin films can be attributed to the formation of combined substitutional and interstitial defects. Further, the differences due to Fe doping in pellet and thin film samples can ultimately be attributed to different surface to volume ratios.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4864748