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 T.; Neuefeind, Joerg C.; Page, Katharine L.; Peterson, Peter F.; Levin, I.; Jones, Jacob L.

doi:10.1063/1.5037609

Title: Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials

Abstract

Characterizing the structural response of functional materials (e.g., piezoelectrics and ferroelectrics) to electric fields is key for the creation of structure-property relationships. Here in this paper, we present a new sample environment and data reduction routines which allow the measurement of time-of-flight neutron total scattering during the in situ or ex situ application of high voltage (<10 kV) to a sample. Instead of utilizing the entire detector space of the diffractometer, only selected regions of detector pixels with scattering at the desired angle to the sample electric field are interrogated, which allows the generation of orientation-dependent reciprocal space patterns and real-space pair distribution functions (PDFs). We demonstrate the method using the relaxor ferroelectric Na_1/2Bi_1/2TiO₃ and observe lattice expansion parallel and contraction perpendicular to the electric field for both in situ or ex situ experiments, revealing the irreversible nature of the local scale structural changes to this composition. Additionally, changes in the distributions of nearest neighbor metal-oxygen bond lengths are observed, which have been difficult to observe in previously measured analogous orientation-dependent X-ray PDFs. Lastly, considerations related to sample positioning and background subtraction are discussed, and future research directions are suggested.

Authors:

^[1];

^[2];

^[1];

^[1]; Levin, I. ^[3]; Jones, Jacob L. ^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
University of Leeds (United Kingdom). School of Chemical and Process Engineering
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Materials Measurement Science Division
North Carolina State Univ., Raleigh, NC (United States). Department of Materials Science and Engineering

Publication Date:: Mon Sep 24 00:00:00 EDT 2018

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

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1474610

Alternate Identifier(s):: OSTI ID: 1472216

Grant/Contract Number:: AC05-00OR22725; KC040602

Resource Type:: Accepted Manuscript

Journal Name:: Review of Scientific Instruments

Additional Journal Information:: Journal Volume: 89; Journal Issue: 9; Journal ID: ISSN 0034-6748

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Usher, Tedi-Marie, Forrester, Jennifer S., McDonnell, Marshall T., Neuefeind, Joerg C., Page, Katharine L., Peterson, Peter F., Levin, I., and Jones, Jacob L. Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials.  United States: N. p., 2018. 
Web.  doi:10.1063/1.5037609.

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                    Usher, Tedi-Marie, Forrester, Jennifer S., McDonnell, Marshall T., Neuefeind, Joerg C., Page, Katharine L., Peterson, Peter F., Levin, I., & Jones, Jacob L. Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials.  United States.  https://doi.org/10.1063/1.5037609

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                    Usher, Tedi-Marie, Forrester, Jennifer S., McDonnell, Marshall T., Neuefeind, Joerg C., Page, Katharine L., Peterson, Peter F., Levin, I., and Jones, Jacob L. Mon .  
"Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials".  United States.  https://doi.org/10.1063/1.5037609.  https://www.osti.gov/servlets/purl/1474610.

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@article{osti_1474610,

  title        = {Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials},

  author       = {Usher, Tedi-Marie and Forrester, Jennifer S. and McDonnell, Marshall T. and Neuefeind, Joerg C. and Page, Katharine L. and Peterson, Peter F. and Levin, I. and Jones, Jacob L.},

  abstractNote = {Characterizing the structural response of functional materials (e.g., piezoelectrics and ferroelectrics) to electric fields is key for the creation of structure-property relationships. Here in this paper, we present a new sample environment and data reduction routines which allow the measurement of time-of-flight neutron total scattering during the in situ or ex situ application of high voltage (<10 kV) to a sample. Instead of utilizing the entire detector space of the diffractometer, only selected regions of detector pixels with scattering at the desired angle to the sample electric field are interrogated, which allows the generation of orientation-dependent reciprocal space patterns and real-space pair distribution functions (PDFs). We demonstrate the method using the relaxor ferroelectric Na1/2Bi1/2TiO3 and observe lattice expansion parallel and contraction perpendicular to the electric field for both in situ or ex situ experiments, revealing the irreversible nature of the local scale structural changes to this composition. Additionally, changes in the distributions of nearest neighbor metal-oxygen bond lengths are observed, which have been difficult to observe in previously measured analogous orientation-dependent X-ray PDFs. Lastly, considerations related to sample positioning and background subtraction are discussed, and future research directions are suggested.},

  doi          = {10.1063/1.5037609},

  journal      = {Review of Scientific Instruments},

  number       = 9,

  volume       = 89,

  place        = {United States},

  year         = {Mon Sep 24 00:00:00 EDT 2018},

  month        = {Mon Sep 24 00:00:00 EDT 2018}

}

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Figure 1: (a) Schematic of the NOMAD detector layout with 50 detector 8-packs. The black dot in the center indicates the sample position. The neutron beam (black line) enters from the center of the 154° detector on the left side of the schematic. (b) Neutron diffraction patterns from the 6more »

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Works referencing / citing this record:

Time filtering of event based neutron scattering data: A pathway to study the dynamic structural responses of materials
journal, September 2018

Fancher, C. M.; Hoffmann, C.; Sedov, V.
Review of Scientific Instruments, Vol. 89, Issue 9
DOI: 10.1063/1.5031798

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Title: Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials

Abstract

Citation Formats

Figures / Tables:

Deformation induced bond orientational order in metallic glasses journal, December 1995

Event-based processing of neutron scattering data journal, December 2015

Diffraction theory of nanotwin superlattices with low symmetry phase: Application to rhombohedral nanotwins and monoclinic M A and M B phases journal, July 2007

Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments journal, November 2014

Structure and properties of La-modified Na 0.5 Bi 0.5 TiO 3 at ambient and elevated temperatures journal, September 2012

Nano- and Mesoscale Structure of Na$_{1 \over 2}$Bi$_{1 \over 2}$TiO3: A TEM Perspective journal, May 2012

Bifurcated Polarization Rotation in Bismuth-Based Piezoelectrics journal, August 2012

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics journal, October 2015

The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS journal, September 2012

Local atomic structure deviation from average structure of Na 0.5 Bi 0.5 TiO 3 : Combined x-ray and neutron total scattering study journal, March 2013

Ferroelectric Ceramics: History and Technology journal, April 1999

Electric field dependent local structure of ( K x N a 1 − x ) 0.5 B i 0.5 Ti O 3 journal, July 2017

Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements journal, May 2007

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal, July 2007

Electric-field-driven monoclinic-to-rhombohedral transformation in Na 1 / 2 Bi 1 / 2 TiO 3 journal, October 2012

In situ characterization of polycrystalline ferroelectrics using x-ray and neutron diffraction journal, November 2014

A profile refinement method for nuclear and magnetic structures journal, June 1969

Deformation in Metallic Glasses Studied by Synchrotron X-Ray Diffraction journal, January 2016

Total scattering atomic pair distribution function: new methodology for nanostructure determination journal, May 2016

Subcoercive Cyclic Electrical Loading of Lead Zirconate Titanate Ceramics II: Time-Resolved X-Ray Diffraction journal, October 2009

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Domain wall and interphase boundary motion in a two-phase morphotropic phase boundary ferroelectric: Frequency dispersion and contribution to piezoelectric and dielectric properties journal, July 2012

Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3 journal, April 2011

Local structure in BaTi O 3 − BiSc O 3 dipole glasses journal, March 2016

Local structural behavior of PbZr 0.5 Ti 0.5 O 3 during electric field application via in situ pair distribution function study journal, November 2017

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Time filtering of event based neutron scattering data: A pathway to study the dynamic structural responses of materials journal, September 2018

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Diffraction theory of nanotwin superlattices with low symmetry phase: Application to rhombohedral nanotwins and monoclinic $M_{A}$ and $M_{B}$ phases
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Structure and properties of La-modified Na _0.5 Bi _0.5 TiO ₃ at ambient and elevated temperatures
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Nano- and Mesoscale Structure of Na$_{1 \over 2}$Bi$_{1 \over 2}$TiO3: A TEM Perspective
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Subcoercive Cyclic Electrical Loading of Lead Zirconate Titanate Ceramics II: Time-Resolved X-Ray Diffraction
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