Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

The local structure of 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 from neutron total scattering measurements and multi-edge X-ray absorption analysis

Journal Article · · Materials Research Bulletin
 [1];  [2];  [1];  [1];  [3]
  1. Oregon State Univ., Corvallis, OR (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. of Calgary, AB (Canada)
+ Show Author Affiliations
Neutron total scattering measurements and multi-edge X-ray absorption analysis were performed on a 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 powder sample. The TiIII-II edges showed that titanium is distorted in the rhombohedral [111] direction (in a BaTiO3-like chemical and bonding environment). Extended X-ray fine structure analysis (EXAFS) was performed on the zirconium K-edge and it was found that zirconium resides in the center of the ZrO6 octahedra in cubic symmetry. Furthermore, the local structure was initially modelled with the orthorhombic Amm2 space group with unsatisfactory results. To better model the local structure, the results from the EXAFS analysis were incorporated into the small-box pair distribution function (PDF) refinements and the best fit of the observed data was a combination of barium calcium titanate (BCT) and barium calcium zirconate (BCZ) phases.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1779151
Alternate ID(s):
OSTI ID: 1873753
Journal Information:
Materials Research Bulletin, Journal Name: Materials Research Bulletin Vol. 135; ISSN 0025-5408
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (45)

Review: environmental friendly lead-free piezoelectric materials journal October 2009
In Situ X-ray Absorption Spectroscopy Studies of Nanoscale Electrocatalysts journal June 2019
Temperature dependence of the segregation of calcium titanate from solid solutions of (Ba, Ca) (Ti, Zr)O3 and its effect on the dielectric properties journal December 1977
The chain structure of BaTiO3 and KNbO3 journal October 1968
Relationship between electromechanical properties and phase diagram in the Ba(Zr0.2Ti0.8)O3–x(Ba0.7Ca0.3)TiO3 lead-free piezoceramic journal November 2014
Local structure and hybridization states in Ba0.9Ca0.1Ti1−Zr O3 ceramic compounds: Correlation with a normal or relaxor ferroelectric character journal February 2015
Total scattering and diffraction studies of lead-free piezoelectric (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 deconvolute intrinsic and extrinsic contributions to electromechanical strain journal June 2019
Electronic structure of BaTiO3 using resonant X-ray emission spectroscopy at the Ba-L3 and Ti-K absorption edges journal March 2014
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
  • Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287 https://doi.org/10.1016/j.nimb.2012.05.037
journal September 2012
The Spallation Neutron Source in Oak Ridge: A powerful tool for materials research journal November 2006
EXAFS study of doped ceria using multiple data set fit journal July 2005
Neutron Total Scattering Studies of Group II Titanates (ATiO3, A2+ = Mg, Ca, Sr, Ba) journal February 2020
Piezoelectric Properties of Lead Zirconate‐Lead Titanate Solid‐Solution Ceramics journal June 1954
Microstructure basis for strong piezoelectricity in Pb-free Ba(Zr 0.2 Ti 0.8 )O 3 -(Ba 0.7 Ca 0.3 )TiO 3 ceramics journal August 2011
Elastic, dielectric, and piezoelectric anomalies and Raman spectroscopy of 0.5Ba(Ti 0.8 Zr 0.2 )O 3 -0.5(Ba 0.7 Ca 0.3 )TiO 3 journal May 2012
The atomic structure of lead-free Ba(Zr 0.2 Ti 0.8 )O 3 -(Ba 0.7 Ca 0.3 )TiO 3 by using neutron total scattering analysis journal December 2012
Revised structural phase diagram of (Ba 0.7 Ca 0.3 TiO 3 )-(BaZr 0.2 Ti 0.8 O 3 ) journal March 2013
Symmetry determination on Pb-free piezoceramic 0.5Ba(Zr 0.2 Ti 0.8 )O 3 -0.5(Ba 0.7 Ca 0.3 )TiO 3 using convergent beam electron diffraction method journal February 2014
Major contributor to the large piezoelectric response in (1 − x)Ba(Zr0.2Ti0.8)O3 − x(Ba0.7Ca0.3)TiO3 ceramics: Domain wall motion journal June 2014
In situ electric field induced domain evolution in Ba(Zr 0.2 Ti 0.8 )O 3 -0.3(Ba 0.7 Ca 0.3 )TiO 3 ferroelectrics journal September 2014
Pair-distribution functions of ferroelectric perovskites: Direct observation of structural ground states journal February 1995
Local structure and the phase transitions of BaTiO 3 journal February 1998
Neutron scattering lengths and cross sections journal January 1992
Temperature dependent local structure in BaTiO 3 single crystal journal January 2017
Neutron diffraction by germania, silica and radiation-damaged silica glasses journal February 1969
The Rietveld method journal August 2014
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal July 2007
Structural studies of Ba 1-x La x TiO 3 using X-ray absorption near-edge spectroscopy journal November 2009
Local structure in BaTi 1 − x Zr x O 3 relaxors from neutron pair distribution function analysis journal February 2009
Local structure in perovskite ( Ba , Sr ) TiO 3 : Reverse Monte Carlo refinements from multiple measurement techniques journal January 2014
Large Piezoelectric Effect in Pb-Free Ceramics journal December 2009
Emergence of Long-Range Order in BaTiO 3 from Local Symmetry-Breaking Distortions journal May 2016
Whole-profile structure solution from powder diffraction data using simulated annealing journal June 2000
SUBGROUPGRAPH : a computer program for analysis of group–subgroup relations between space groups journal August 2000
On the use of modification functions when Fourier transforming total scattering data journal October 2012
A profile refinement method for nuclear and magnetic structures journal June 1969
Unit-cell refinement from powder diffraction scans journal December 1981
Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups journal March 2006
Group-theoretical analysis of octahedral tilting in ferroelectric perovskites journal November 2002
The classification of tilted octahedra in perovskites journal November 1972
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ journal February 2018
Piezoelectric Properties of Polycrystalline Lead Titanate Zirconate Compositions journal February 1960
Perspective on the Development of Lead-free Piezoceramics journal June 2009
What can be Expected from Lead-Free Piezoelectric Materials? journal March 2010

Similar Records

Revised structural phase diagram of (Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3})-(BaZr{sub 0.2}Ti{sub 0.8}O{sub 3})
Journal Article · Sun Mar 03 23:00:00 EST 2013 · Applied Physics Letters · OSTI ID:22162772
Synthesis and characterization of lead-free 0.5Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-0.5(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} ceramic
Journal Article · Fri Jun 07 00:00:00 EDT 2013 · Journal of Applied Physics · OSTI ID:22162992
Orientation-dependent piezoelectric properties in lead-free epitaxial 0.5BaZr{sub 0.2}Ti{sub 0.8}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} thin films
Journal Article · Mon Sep 16 00:00:00 EDT 2013 · Applied Physics Letters · OSTI ID:22217960

Related Subjects

36 MATERIALS SCIENCE