skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

Abstract

Neutron and x-ray scattering measurements were performed on (Na 1/2Bi 1/2)TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.

Authors:
ORCiD logo [1];  [2];  [1];  [1];  [3];  [4];  [5];  [5];  [6]
  1. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Materials Science and Engineering
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  4. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
  5. Chinese Academy of Sciences (CAS), Beijing (China). Shanghai Inst. of Ceramics
  6. Duke Univ., Durham, NC (United States). Mechanical Engineering and Materials Science Dept.; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1462872
Alternate Identifier(s):
OSTI ID: 1408219; OSTI ID: 1408260; OSTI ID: 1460803
Grant/Contract Number:  
AC05-00OR22725; SC0016166; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 17; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Ferroelectricity; Phase transitions; Piezoelectricity; Relaxor ferroelectrics; Single crystal materials; Neutron diffraction; X-ray scattering

Citation Formats

Luo, Chengtao, Bansal, Dipanshu, Li, Jiefang, Viehland, Dwight, Winn, Barry, Ren, Yang, Li, Xiaobing, Luo, Haosu, and Delaire, Olivier. Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na,Bi)TiO3-xBaTiO3 single crystals near the morphotropic phase boundary. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.174108.
Luo, Chengtao, Bansal, Dipanshu, Li, Jiefang, Viehland, Dwight, Winn, Barry, Ren, Yang, Li, Xiaobing, Luo, Haosu, & Delaire, Olivier. Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na,Bi)TiO3-xBaTiO3 single crystals near the morphotropic phase boundary. United States. doi:10.1103/PhysRevB.96.174108.
Luo, Chengtao, Bansal, Dipanshu, Li, Jiefang, Viehland, Dwight, Winn, Barry, Ren, Yang, Li, Xiaobing, Luo, Haosu, and Delaire, Olivier. Fri . "Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na,Bi)TiO3-xBaTiO3 single crystals near the morphotropic phase boundary". United States. doi:10.1103/PhysRevB.96.174108. https://www.osti.gov/servlets/purl/1462872.
@article{osti_1462872,
title = {Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na,Bi)TiO3-xBaTiO3 single crystals near the morphotropic phase boundary},
author = {Luo, Chengtao and Bansal, Dipanshu and Li, Jiefang and Viehland, Dwight and Winn, Barry and Ren, Yang and Li, Xiaobing and Luo, Haosu and Delaire, Olivier},
abstractNote = {Neutron and x-ray scattering measurements were performed on (Na1/2Bi1/2)TiO3-x at % BaTiO3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.},
doi = {10.1103/PhysRevB.96.174108},
journal = {Physical Review B},
number = 17,
volume = 96,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Dynamical, scattering and dielectric properties of ferroelectric crystals
journal, March 1969


Neutron and x-ray diffraction study of cubic [111] field-cooled Pb ( Mg 1 3 Nb 2 3 ) O 3
journal, August 2007


Hierarchical domain structure of lead-free piezoelectric (Na 1/2 Bi 1/2 )TiO 3 -(K 1/2 Bi 1/2 )TiO 3 single crystals
journal, May 2016

  • Luo, Chengtao; Wang, Yaojin; Ge, Wenwei
  • Journal of Applied Physics, Vol. 119, Issue 17
  • DOI: 10.1063/1.4948478

Neutron diffuse scattering from polar nanoregions in the relaxor Pb ( Mg 1 / 3 Nb 2 / 3 ) O 3
journal, February 2002


Current status and prospects of lead-free piezoelectric ceramics
journal, January 2005


Crystal growth and electric properties of lead-free NBT-BT at compositions near the morphotropic phase boundary
journal, March 2011

  • Zhang, Qinhui; Zhao, Xiangyong; Sun, Renbing
  • physica status solidi (a), Vol. 208, Issue 5
  • DOI: 10.1002/pssa.201000052

Soft phonon columns on the edge of the Brillouin zone in the relaxor PbMg 1 / 3 Nb 2 / 3 O 3
journal, June 2009


HYSPEC: A crystal time-of-flight hybrid spectrometer for the spallation neutron source with polarization capabilities
journal, November 2006


Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
journal, January 2000

  • Fu, Huaxiang; Cohen, Ronald E.
  • Nature, Vol. 403, Issue 6767
  • DOI: 10.1038/35002022

Neutron diffuse scattering of (1−x)(Na0.5Bi0.5)TiO3–xBaTiO3 relaxor ferroelectric single crystals
journal, September 2014


Damped soft phonons and diffuse scattering in 40 % Pb ( Mg 1 3 Nb 2 3 ) O 3 60 % PbTiO 3
journal, February 2006


Inelastic neutron scattering study of lead-free relaxor ferroelectric (Na 0.5 Bi 0.5 ) 0.96 Ba 0.04 TiO 3 single crystal
journal, September 2011


Anharmonicity of the lowest-frequency A 1 (TO) phonon in PbTiO 3
journal, October 1993


Neutron Diffuse Scattering in Lead-Based Relaxor Ferroelectrics and its Relationship to the Ultra-High Piezoelectricity
journal, April 2012


Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystals
journal, August 1997

  • Park, Seung-Eek; Shrout, Thomas R.
  • Journal of Applied Physics, Vol. 82, Issue 4
  • DOI: 10.1063/1.365983

Domain boundary-dominated systems: adaptive structures and functional twin boundaries
journal, July 2014


Effect of Mn substituents on the domain and local structures of Na1/2Bi1/2TiO3–BaTiO3 single crystals near a morphotropic phase boundary
journal, March 2011

  • Yao, Jianjun; Yang, Yaodong; Monsegue, Niven
  • Applied Physics Letters, Vol. 98, Issue 13
  • DOI: 10.1063/1.3573801

Lattice Dynamics and Phase Transitions of Strontium Titanate
journal, May 1964


The classification of tilted octahedra in perovskites
journal, November 1972

  • Glazer, A. M.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
  • DOI: 10.1107/S0567740872007976

Neutron elastic diffuse scattering study of Pb ( Mg 1 / 3 Nb 2 / 3 ) O 3
journal, February 2004


Evolution of structure in Na 0.5 Bi 0.5 TiO 3 single crystals with BaTiO 3
journal, October 2014

  • Ge, Wenwei; Luo, Chengtao; Zhang, Qinhui
  • Applied Physics Letters, Vol. 105, Issue 16
  • DOI: 10.1063/1.4900547

Progress in engineering high strain lead-free piezoelectric ceramics
journal, February 2010


High-throughput electronic band structure calculations: Challenges and tools
journal, August 2010


Superlattice in single crystal barium-doped sodium bismuth titanate
journal, February 2000


Soft Mode Dynamics above and below the Burns Temperature in the Relaxor Pb ( Mg 1 / 3 Nb 2 / 3 ) O 3
journal, December 2001


The phase transition sequence and the location of the morphotropic phase boundary region in (1   x)[Pb (Mg 1/3 Nb 2/3 )O 3 ] xPbTiO 3 single crystal
journal, January 2003


Relaxorferroelectrics: An overview
journal, January 1994


Evolution of domain structures in Na 1 / 2 Bi 1 / 2 TiO 3 single crystals with BaTiO 3
journal, February 2011


Ultrahigh electromechanical response in (1− x )(Na 0.5 Bi 0.5 )TiO 3 - x BaTiO 3 single-crystals via polarization extension
journal, May 2012

  • Ge, Wenwei; Luo, Chengtao; Zhang, Qinhui
  • Journal of Applied Physics, Vol. 111, Issue 9
  • DOI: 10.1063/1.4709619

Crystal Structural Analyses of Ferrielectric Tetragonal (Bi 1/2 Na 1/2 )TiO 3 –7%BaTiO 3 Powders and Single Crystals
journal, September 2013

  • Kitanaka, Yuuki; Ogino, Motohiro; Hirano, Kiyotaka
  • Japanese Journal of Applied Physics, Vol. 52, Issue 9S1
  • DOI: 10.7567/JJAP.52.09KD01

Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics
journal, July 2016

  • Acosta, Matias; Schmitt, Ljubomira A.; Cazorla, Claudio
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep28742

Dynamical mechanism of phase transitions in A -site ferroelectric relaxor ( Na 1 / 2 Bi 1 / 2 ) TiO 3
journal, October 2014


Simultaneous softening of acoustic and optical modes in cubic PbTiO 3
journal, October 2012