Crystal structure of 0.96(Na 0.5Bi 0.5TiO 3)-0.04(BaTiO 3) from combined refinement of x-ray and neutron diffraction patterns

T. M. Usher, J. S. Forrester, C. R. Dela Cruz, J. L. Jones

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Abstract

High-resolution x-ray and neutron diffraction of (0.96)Na 0.5Bi 0.5TiO 3-(0.04)BaTiO 3 (NBT-4BT) reveal subtle structural distortions that evidence lower symmetry than allowed in the R3c space group. The combined refinement that best models the diffraction patterns is a two phase mixture of a monoclinic Cc phase and a minor fraction of a metrically cubic Pm 3 m phase (13 wt.%). The cubic phase is utilized to account for nanometer-scale regions whose local deviations from the long-range symmetry are not observed, such as polar nano-regions or tetragonal platelets. This suggests that the low symmetry found in the NBT-rich phases extends from 0 at. to at least 4 at. BT.

Original languageEnglish
Article number152906
JournalApplied Physics Letters
Volume101
Issue number15
DOIs
StatePublished - Oct 8 2012

Funding

This work was supported by the U.S. Department of the Army under W911NF-09-1-0435. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This research at Oak Ridge National Laboratory's High Flux Isotope was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors would like to thank Dr. Elena Aksel for the x-ray diffraction measurements.

FundersFunder number
Scientific User Facilities Division
U.S. Department of Energy
Office of Science
Basic Energy SciencesDE-AC02-06CH11357
Oak Ridge National Laboratory
U.S. Army Medical DepartmentW911NF-09-1-0435

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