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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
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Structural analysis of lead magnesium niobate using synchrotron powder X-ray diffraction and the Rietveld method.

Ashok Bhakar1, Adityanarayan H Pandey2, M N Singh1

  • 1Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore 452013, India.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|June 1, 2016
PubMed
Summary

Synchrotron X-ray diffraction of lead magnesium niobate (PMN) reveals significant peak broadening. A two-phase model, including polar nanoregions (PNRs), best fits the data, indicating their presence at room temperature.

Keywords:
Rietveld methodlead magnesium niobatepolar nanoregionspowder diffractionrelaxor ceramic

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Area of Science:

  • Materials Science
  • Solid-State Physics
  • Crystallography

Background:

  • Lead magnesium niobate (PMN) is a relaxor-type ferroelectric perovskite.
  • Understanding the local structure and phase coexistence in PMN is crucial for its applications.

Purpose of the Study:

  • To analyze the room-temperature crystal structure of PMN using synchrotron powder X-ray diffraction.
  • To investigate the presence and contribution of polar nanoregions (PNRs) to the observed diffraction pattern.

Main Methods:

  • Synchrotron powder X-ray diffraction (XRD) was performed on PMN.
  • Rietveld refinement was employed to analyze the XRD data, attempting fits with cubic and rhombohedral phases.
  • A two-phase refinement model was utilized to account for phase coexistence.

Main Results:

  • The XRD pattern exhibited significant peak broadening, particularly in the q range of 5-7 Å⁻¹.
  • Neither a pure cubic (Pm\bar{3}m) nor a pure rhombohedral (R3m) phase could satisfactorily fit the experimental data.
  • A two-phase refinement indicated the presence of approximately 12-16% rhombohedral PNRs coexisting with the cubic phase.

Conclusions:

  • The experimental XRD data of PMN at room temperature is best described by a two-phase model.
  • Polar nanoregions (PNRs) are present in PMN at room temperature, contributing to the observed structural characteristics.
  • The unit-cell volume of the rhombohedral PNRs is slightly larger than that of the cubic phase.