Bandgap tuning in SrTi(N,O,F)3 by anionic-lattice variation

  • Polycrystalline SrTiO3 and SrTi(O,F)3 powders were synthesized by a solid-state reaction. A partial substitution of oxygen by nitrogen was subsequently carried out using thermal ammonolysis resulting in SrTi(N,O)3 and SrTi(N,O,F)3. Powder X-ray diffraction (XRD) revealed a cubic perovskite structure with space group Pm-3m for all samples. The thermal ammonolysis slightly increased the lattice parameters, crystallite sizes and strain. As a result from the co-substitution of oxygen with nitrogen and fluorine for SrTi(N,O,F)3, highly distorted TiO6 octahedra were detected using X-ray absorption near edge structure (XANES) spectroscopy. The weakening of all active modes of the Raman spectra after thermal ammonolysis also indicated enhanced distortions in the local crystal structure. SrTi(N,O,F)3 has the largest amount of nitrogen as well as fluorine among all four samples as determined by thermogravimetric analysis (TGA), elemental analysis and X-ray photoelectron spectroscopy (XPS). InPolycrystalline SrTiO3 and SrTi(O,F)3 powders were synthesized by a solid-state reaction. A partial substitution of oxygen by nitrogen was subsequently carried out using thermal ammonolysis resulting in SrTi(N,O)3 and SrTi(N,O,F)3. Powder X-ray diffraction (XRD) revealed a cubic perovskite structure with space group Pm-3m for all samples. The thermal ammonolysis slightly increased the lattice parameters, crystallite sizes and strain. As a result from the co-substitution of oxygen with nitrogen and fluorine for SrTi(N,O,F)3, highly distorted TiO6 octahedra were detected using X-ray absorption near edge structure (XANES) spectroscopy. The weakening of all active modes of the Raman spectra after thermal ammonolysis also indicated enhanced distortions in the local crystal structure. SrTi(N,O,F)3 has the largest amount of nitrogen as well as fluorine among all four samples as determined by thermogravimetric analysis (TGA), elemental analysis and X-ray photoelectron spectroscopy (XPS). In the UV–vis spectra a distinctive shift of the absorption-edge energy was observed exclusively for the SrTi(N,O,F)3 sample from 390 to 510 nm corresponding to a bandgap narrowing from 3.18 to 2.43 eV.show moreshow less

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Metadaten
Author:Songhak Yoon, Alexandra E. Maegli, Lassi Karvonen, Santhosh K. Matam, Andrey Shkabko, Stefan Riegg, Thomas Großmann, Stefan G. Ebbinghaus, Simone Pokrant, Anke WeidenkaffORCiDGND
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/113573
ISSN:0022-4596OPAC
Parent Title (English):Journal of Solid State Chemistry
Publisher:Elsevier BV
Place of publication:Amsterdam
Type:Article
Language:English
Year of first Publication:2013
Release Date:2024/06/21
Volume:206
First Page:226
Last Page:232
DOI:https://doi.org/10.1016/j.jssc.2013.08.001
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik V
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik