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

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.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE

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

OSTI ID:: 1376340

Alternate ID(s):: OSTI ID: 1373428
OSTI ID: 1376246

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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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
Field-induced polarization rotation and phase transitions in 0.70 Pb ( M g 1 / 3 N b 2 / 3 ) O 3 − 0.30 PbTi O 3 piezoceramics observed by in situ high-energy x-ray scattering Hou, Dong; Usher, Tedi-Marie; Fulanovic, Lovro Physical Review B, Vol. 97, Issue 21 https://doi.org/10.1103/physrevb.97.214102	journal	June 2018

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