Electric field dependent local structure of (KxNa1-x)0.5Bi0.5TiO3

Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J.; Jones, J. L.; Levin, I.; Brown, A. P.; Bell, A. J.

doi:10.1103/PhysRevB.96.014118

Title: Electric field dependent local structure of ${(K_{x} N a_{1 - x})}_{0.5} B i_{0.5} Ti O_{3}$

Journal Article · Mon Jul 31 00:00:00 EDT 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.96.014118· OSTI ID:1376340

Goetzee-Barral, A. J. ^[1]; Usher, T. -M. ^[2]; Stevenson, T. J. ^[1]; Jones, J. L. ^[3]; Levin, I. ^[4]; Brown, A. P. ^[1]; Bell, A. J. ^[1]

Univ. of Leeds, Leeds (United Kingdom)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
North Carolina State Univ., Raleigh, NC (United States)
National Inst. of Standards and Technology, Gaithersburg, MD (United States)

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K_xNa_1–x)_0.5Bi_0.5TiO₃, as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks in the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

OSTI ID:: 1376340

Alternate ID(s):: OSTI ID: 1373428

Journal Information:: Physical Review B, Vol. 96, Issue 1; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials Usher, Tedi-Marie; Forrester, Jennifer S.; McDonnell, Marshall Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5037609	journal	September 2018

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