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Title: Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}

Abstract

The spectroscopic parameters and electronic structure of binary titanate Pr{sub 2}Ti{sub 2}O{sub 7} 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 Pr{sub 2}Ti{sub 2}O{sub 7} have been determined as {alpha}{sub Ti}=872.8 and {alpha}{sub O}=1042.3 eV. Variations of cation-anion bond ionicity have been discussed using binding energy differences {Delta}{sub Ti}=(BE O 1s-BE Ti 2p{sub 3/2})=71.6 eV and {Delta}{sub Pr}=BE(Pr 3d{sub 5/2})-BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides. Highlights: Black-Right-Pointing-Pointer Solid state synthesis of polar titanate Pr{sub 2}Ti{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Structural and spectroscopic properties and electronic structure determination. Black-Right-Pointing-Pointer Ti-O and Pr-O bonding analysis using Ti 2p{sub 3/2}, Pr 3d{sub 5/2} and O 1s core levels.

Authors:
 [1];  [2];  [3];  [4];  [1]
  1. Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation)
  2. Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation)
  3. Materials Research Division, National Laboratory for Sustainable Energy, Technical University of Denmark, Frederiksborgvej 399, DK-4000, Roskilde (Denmark)
  4. Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation)
Publication Date:
OSTI Identifier:
22149895
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 195; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BINDING ENERGY; ELECTRONIC STRUCTURE; FERROELECTRIC MATERIALS; OXIDES; PRASEODYMIUM; RAMAN SPECTROSCOPY; SOLIDS; SYNTHESIS; TITANATES; TITANIUM; X-RAY PHOTOELECTRON SPECTROSCOPY

Citation Formats

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru, Gavrilova, T.A., Grivel, J.-C., Kesler, V.G., and Troitskaia, I.B. Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}. United States: N. p., 2012. Web. doi:10.1016/J.JSSC.2012.02.033.
Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru, Gavrilova, T.A., Grivel, J.-C., Kesler, V.G., & Troitskaia, I.B. Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}. United States. doi:10.1016/J.JSSC.2012.02.033.
Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru, Gavrilova, T.A., Grivel, J.-C., Kesler, V.G., and Troitskaia, I.B. Thu . "Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}". United States. doi:10.1016/J.JSSC.2012.02.033.
@article{osti_22149895,
title = {Electronic structure of layered ferroelectric high-k titanate Pr{sub 2}Ti{sub 2}O{sub 7}},
author = {Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru and Gavrilova, T.A. and Grivel, J.-C. and Kesler, V.G. and Troitskaia, I.B.},
abstractNote = {The spectroscopic parameters and electronic structure of binary titanate Pr{sub 2}Ti{sub 2}O{sub 7} 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 Pr{sub 2}Ti{sub 2}O{sub 7} have been determined as {alpha}{sub Ti}=872.8 and {alpha}{sub O}=1042.3 eV. Variations of cation-anion bond ionicity have been discussed using binding energy differences {Delta}{sub Ti}=(BE O 1s-BE Ti 2p{sub 3/2})=71.6 eV and {Delta}{sub Pr}=BE(Pr 3d{sub 5/2})-BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides. Highlights: Black-Right-Pointing-Pointer Solid state synthesis of polar titanate Pr{sub 2}Ti{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Structural and spectroscopic properties and electronic structure determination. Black-Right-Pointing-Pointer Ti-O and Pr-O bonding analysis using Ti 2p{sub 3/2}, Pr 3d{sub 5/2} and O 1s core levels.},
doi = {10.1016/J.JSSC.2012.02.033},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 195,
place = {United States},
year = {2012},
month = {11}
}