A modified Rietveld method to model highly anisotropic ceramics

G. Tutuncu*, M. Motahari, M. R. Daymond, E. Ustundag

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


High energy X-ray diffraction was employed to probe the complex constitutive behavior of a polycrystalline ferroelectric material in various sample orientations. Pb(Zn,Nb)O 3-Pb(Zr,Ti)O 3 (PZN-PZT) ceramics were subjected to a cyclic bipolar electric field while diffraction patterns were taken. Using transmission geometry and a two-dimensional detector, lattice strain and texture evolution (domain switching) were measured in multiple sample directions simultaneously. In addition, texture analysis suggests that non-180° domain switching is coupled with lattice strain evolution during uniaxial electrical loading. As a result of this material's high strain anisotropy, the full-pattern Rietveld method was inadequate to analyze the diffraction data. Instead, a modified Rietveld method, which includes an elastic anisotropy term, yielded significant improvements in the data analysis results.

Original languageEnglish
Pages (from-to)1494-1502
Number of pages9
JournalActa Materialia
Issue number4
Publication statusPublished - Feb 2012
Externally publishedYes


This research was partially supported by an NSF-CAREER Award (DMR-9985264) and the DOE Ames Laboratory. Use of the APS was supported by the DOE under Contract No. W-31-109-ENG-38. The authors would like to extend their gratitude to David Cann for providing samples, and Sven Vogel, Douglas Robinson, Jacob L. Jones and David Weldon for technical assistance and helpful suggestions.

FundersFunder number
U.S. Department of Energy
Ames Laboratory


    • Piezoelectricity
    • Rietveld
    • X-ray diffraction


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