Local atomic order and hierarchical polar nanoregions in a classical relaxor ferroelectric

Eremenko, M.; Krayzman, V.; Bosak, A.; Playford, H. Y.; Chapman, K. W.; Woicik, J. C.; Ravel, B.; Levin, I.

doi:10.1038/s41467-019-10665-4

Title: Local atomic order and hierarchical polar nanoregions in a classical relaxor ferroelectric

Journal Article · 21 June 2019 · Nature Communications

DOI: https://doi.org/10.1038/s41467-019-10665-4 · OSTI ID:1547404

Eremenko, M. ^[1]; Krayzman, V. ^[1]; Bosak, A. ^[2]; Playford, H. Y. ^[3];

^[4]; Woicik, J. C. ^[1]; Ravel, B. ^[1]; Levin, I. ^[1]

National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
European Synchrotron Radiation Facility (ESRF), Grenoble (France)
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL)
Stony Brook Univ., NY (United States)

The development of useful structure-function relationships for materials that exhibit correlated nanoscale disorder requires adequately large atomistic models which today are obtained mainly via theoretical simulations. Here, we exploit our recent advances in structure-refinement methodology to demonstrate how such models can be derived directly from simultaneous fitting of 3D diffuse- and total-scattering data, and we use this approach to elucidate the complex nanoscale atomic correlations in the classical relaxor ferroelectric PbMg_1/3Nb_2/3O₃ (PMN). Our results uncover details of ordering of Mg and Nb and reveal a hierarchical structure of polar nanoregions associated with the Pb and Nb displacements. The magnitudes of these displacements and their alignment vary smoothly across the nanoregion boundaries. No spatial correlations were found between the chemical ordering and the polar nanoregions. This work highlights a broadly applicable nanoscale structure-refinement method and provides insights into the structure of PMN that require rethinking its existing contentious models.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; SC0012704

OSTI ID:: 1547404

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 10; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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