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Crystal structure, electrical, and thermal properties of Ca0.5Th0.5VO4

Published online by Cambridge University Press:  31 January 2011

S.J. Patwe ,
S. Nagabhusan Achary  and
Avesh K. Tyagi
S. Nagabhusan Achary*
Affiliation:
Chemistry Division, Bhabha Atomic Research Centre Mumbai, 400 085 India
Avesh K. Tyagi
Affiliation:
Chemistry Division, Bhabha Atomic Research Centre Mumbai, 400 085 India
*
a) Address all correspondence to this author. e-mail: sachary@barc.gov.in
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Abstract

Ca0.5Th0.5VO4 was prepared by a solid-state reaction of component oxides and characterized by powder x-ray diffraction (XRD) at ambient and higher temperatures and impedance spectroscopy. Crystal structure was refined by Rietveld refinements from powder XRD data. At room temperature, Ca0.5Th0.5VO4 has a zircon-type tetragonal (I41/amd) lattice with unit cell parameters: a = 7.2650(1) and c = 6.4460(1) Å. Despite the large charge difference, Ca2+ and Th4+ are statistically distributed over a single site. The crystal structure of Ca0.5Th0.5VO4 is built from the (Ca/Th)O8 (bisdisphenoid) and VO4 tetrahedra. The in situ high-temperature XRD studies on Ca0.5Th0.5VO4 revealed anisotropic thermal expansion behavior with coefficients of thermal expansion αc = 10.96 × 10−6/°C and αa = 5.32 × 10−6/°C. The impedance measurements carried out in the temperature range from ambient to 800 °C indicate semiconducting behavior with appreciable ionic conductivity above 400 °C. The activation energy obtained from the temperature-dependent AC conductivity data is ∼1.37 eV. In wider range of frequencies and temperatures, the relative permittivity of approximately 50 to 60 is observed for Ca0.5Th0.5VO4.

Keywords

Crystallographic structureX-ray diffraction (XRD)Dielectric properties
Type
Articles
Information
Journal of Materials Research , Volume 24 , Issue 12 , December 2009 , pp. 3551 - 3558
Copyright
Copyright © Materials Research Society 2009

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