Synthesis, structure and physical properties of reduced barium titanate Ba{sub 2}Ti{sub 13}O{sub 22}

Journal Article · Tue Nov 15 00:00:00 EST 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.09.008· OSTI ID:21580085

Kataoka, Kunimitsu ^[1]; Kijima, Norihito; Hayakawa, Hiroshi; Iyo, Akira ^[1]; Ohshima, Ken-ichi ^[2]; Akimoto, Junji ^[1]

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1. National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565 (Japan)
2. Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan)

Polycrystalline sample of the reduced barium titanate Ba{sub 2}Ti{sub 13}O{sub 22} was synthesized by solid state reaction at 1523 K in Ar atmosphere for the first time. The Rietveld refinement using the powder X-ray diffraction data confirmed the sample to be main phase of Ba{sub 2}Ti{sub 13}O{sub 22} having the orthorhombic crystal system, space group Bmab and the lattice parameters of a=11.67058(11) A, b=14.12020(13) A and c=10.06121(9) A, and V=1657.995(20) A{sup 3}. The valence state of Ti was evaluated by both the Ti-O bond distance analysis and the Ti K-edge XANES analysis. The magnetic susceptibility was nearly temperature independent in the range of 60-300 K, suggesting the Van Vleck Paramagnetism. The electrical conductivity at 300 K is approximately 320.50 S/cm, and a semiconducting behavior was observed below room temperature. The Seebeck coefficient showed a negative value of -1.25 {mu}V/K at 300 K, indicating n-type behavior. These facts were confirmed by the results of the present theoretical calculations by the FLAPW method. - Graphical abstract: Temperature dependence of the electrical conductivity of Ba{sub 2}Ti{sub 13}O{sub 22}. A plot of ln {sigma} versus T{sup -1} is shown by open circles, and a plot of ln {sigma} versus T{sup -1/4} is shown by open triangles. Highlights: > Polycrystalline samples of Ba{sub 2}Ti{sub 13}O{sub 22} synthesis by solid state reaction. > Theoretical calculation by FLAPW method. > Electrical property measurements.

• OSTI ID: 21580085
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 11; Other Information: DOI: 10.1016/j.jssc.2011.09.008; PII: S0022-4596(11)00499-3; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTROSCOPY
BARIUM
BOND LENGTHS
ELECTRIC CONDUCTIVITY
LATTICE PARAMETERS
MAGNETIC SUSCEPTIBILITY
ORTHORHOMBIC LATTICES
OXIDES
PARAMAGNETISM
POLYCRYSTALS
SOLIDS
SPACE GROUPS
SYNTHESIS
TEMPERATURE DEPENDENCE
TITANATES
X-RAY DIFFRACTION
X-RAY SPECTROSCOPY
ALKALINE EARTH METALS
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
DIMENSIONS
ELECTRICAL PROPERTIES
ELEMENTS
LENGTH
MAGNETIC PROPERTIES
MAGNETISM
METALS
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
SCATTERING
SPECTROSCOPY
SYMMETRY GROUPS
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS