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"A" cation polarity control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+).

Jeongho Yeon1, Sang-Hwan Kim, Michael A Hayward

  • 1Department of Chemistry, University of Houston, 136 Fleming Building, Houston, Texas 77204-5003, USA.

Inorganic Chemistry
|August 2, 2011
PubMed
Summary

The synthesis of ACuTe(2)O(7) compounds revealed that BaCuTe(2)O(7) is noncentrosymmetric and polar, exhibiting piezoelectric and pyroelectric properties. SrCuTe(2)O(7) and PbCuTe(2)O(7) are centrosymmetric, lacking these polar characteristics.

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Crystallography

Background:

  • Layered transition metal tellurates offer potential for novel electronic and optical properties.
  • The influence of alkaline earth or divalent metal cations (A) on the structural and polar properties of ACuTe(2)O(7) is not well understood.

Purpose of the Study:

  • To synthesize and characterize ACuTe(2)O(7) compounds where A = Sr(2+), Ba(2+), or Pb(2+).
  • To investigate the structural, polar, and physical properties of these materials.
  • To understand the role of the 'A' cation in determining the material's polarity and potential applications.

Main Methods:

  • Solid-state synthesis and single-crystal X-ray diffraction.
  • Infrared (IR) and UV-visible (UV-vis) spectroscopy.
  • Thermogravimetric analysis (TGA), differential thermal analysis (DTA), magnetic susceptibility measurements.
  • Second-harmonic generation (SHG), piezoelectric, and polarization measurements for BaCuTe(2)O(7).

Main Results:

  • SrCuTe(2)O(7) and PbCuTe(2)O(7) were found to be centrosymmetric and isostructural (space group Pbcm).
  • BaCuTe(2)O(7) crystallizes in a noncentrosymmetric polar structure (space group Pbcm) with [CuTe(2)O(7)](2-) layers.
  • BaCuTe(2)O(7) exhibits a moderate SHG efficiency (~70 × α-SiO(2)), a piezoelectric charge coefficient of 49 pm/V, and a pyroelectric coefficient of -9.5 μC/m(2)·K at 90 °C.
  • BaCuTe(2)O(7) was determined to be non-ferroelectric, as its macroscopic polarization is not reversible.

Conclusions:

  • The 'A' cation significantly influences the structural symmetry and polar properties of ACuTe(2)O(7) compounds.
  • BaCuTe(2)O(7) is a polar material with potential applications in nonlinear optics and piezoelectric devices.
  • The study provides insights into structure-property relationships in layered tellurates, guided by bond valence analysis.