Local structure in BaTiO3BiScO3 dipole glasses

I. Levin, V. Krayzman, J. C. Woicik, F. Bridges, G. E. Sterbinsky, T-M. Usher, J. L. Jones, and D. Torrejon
Phys. Rev. B 93, 104106 – Published 14 March 2016

Abstract

Local structures in cubic perovskite-type (Ba0.6Bi0.4)(Ti0.6Sc0.4)O3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-center displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4kVmm1.

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  • Received 11 January 2016
  • Revised 16 February 2016

DOI:https://doi.org/10.1103/PhysRevB.93.104106

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

I. Levin1,*, V. Krayzman1, J. C. Woicik1, F. Bridges2, G. E. Sterbinsky3, T-M. Usher4, J. L. Jones4, and D. Torrejon5

  • 1Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
  • 2Department of Physics, University of California, Santa Cruz, California 95064, USA
  • 3Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA
  • 4Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA
  • 5Department of Mathematical Sciences, George Mason University, Fairfax, Virginia 22030, USA

  • *igor.levin@nist.gov

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Vol. 93, Iss. 10 — 1 March 2016

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