Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7

The spectroscopic parameters and electronic structure of binary titanate Pr2Ti2O7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have bee...

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Bibliographic Details
Published in:Journal of solid state chemistry 2012-11, Vol.195, p.125-131
Main Authors: Atuchin, V.V., Gavrilova, T.A., Grivel, J.-C., Kesler, V.G., Troitskaia, I.B.
Format: Article
Language:English
Subjects:
Augers
Cations
Constituents
Electronic structure
Raman spectroscopy
Solid state
Titanate
Titanates
Titanium
X-ray photoelectron spectroscopy
XPS
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Summary:The spectroscopic parameters and electronic structure of binary titanate Pr2Ti2O7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Pr2Ti2O7 have been determined as αTi=872.8 and αO=1042.3eV. Variations of cation–anion bond ionicity have been discussed using binding energy differences ΔTi=(BE O 1s–BE Ti 2p3/2)=71.6eV and ΔPr=BE(Pr 3d5/2)−BE(O 1s)=403.8eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides. [Display omitted] ► Solid state synthesis of polar titanate Pr2Ti2O7. ► Structural and spectroscopic properties and electronic structure determination. ► Ti–O and Pr–O bonding analysis using Ti 2p3/2, Pr 3d5/2 and O 1s core levels.
ISSN:0022-4596
1095-726X
DOI:10.1016/j.jssc.2012.02.033