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Title: Structural transitions in Pb(In1/2Nb1/2)O3 under pressure

Abstract

Here, Raman scattering, x-ray diffraction, and first-principles calculations were employed to investigate the behavior of disordered Pb(In1/2Nb1/2)O3 (PIN) under pressure up to 50 GPa. The experiments were performed at room temperature while ab-initio calculations were carried out at 0 K. Raman spectra for disordered PIN show broad bands but a peak near the 380 cm-1 increases its intensity with pressure. The linewidth of the band at 550 cm-1 also increases with pressure, while two of the Raman peaks merge above 6 GPa. Above 16 GPa, we observe additional splitting of the band at 50 cm-1. The pressure evolution of the diffraction patterns for PIN shows obvious splitting for Bragg peaks above 16 GPa; the results indicate a possible lowering symmetry transition. We identified that the transition at 0.5 GPa is from pseudo-cubic to orthorhombic (Pbam), the transitions at 16 GPa are isostructure transitions due to changes in linear compressibility and octahedral titling, and the transition at 30 GPa is from orthorhombic to monoclinic. First-principles calculations results indicated that ground state is Pbam with antiferrodisdortion consistent with experiment.

Authors:
 [1];  [1];  [2];  [3];  [4];  [1]
+ Show Author Affiliations
  1. Carnegie Institution of Washington, Washington, D.C. (United States)
  2. Univ. of Tsukuba, Ibaraki (Japan)
  3. Gifu Univ., Gifu (Japan)
  4. Univ. of Arkansas, Fayetteville, AR (United States); Southern Federal Univ., Rostov on Don (Russia)
Publication Date:
Research Org.:
Carnegie Institution of Washington, Washington, D.C. (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1335453
Grant/Contract Number:  
NA0002006
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Advanced Dielectrics
Additional Journal Information:
Journal Volume: 05; Journal Issue: 04; Journal ID: ISSN 2010-135X
Publisher:
World Scientific
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; relaxor ferroelectrics; high-pressure; structural phase transition

Citation Formats

Ahart, Muhtar, Somayazulu, Maddury, Kojima, Seiji, Yasuda, Naohiko, Prosandeev, Sergey, and Hemley, Russell J. Structural transitions in Pb(In1/2Nb1/2)O3 under pressure. United States: N. p., 2015. Web. doi:10.1142/S2010135X15500332.
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Ahart, Muhtar, Somayazulu, Maddury, Kojima, Seiji, Yasuda, Naohiko, Prosandeev, Sergey, & Hemley, Russell J. Structural transitions in Pb(In1/2Nb1/2)O3 under pressure. United States. https://doi.org/10.1142/S2010135X15500332
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Ahart, Muhtar, Somayazulu, Maddury, Kojima, Seiji, Yasuda, Naohiko, Prosandeev, Sergey, and Hemley, Russell J. Tue . "Structural transitions in Pb(In1/2Nb1/2)O3 under pressure". United States. https://doi.org/10.1142/S2010135X15500332. https://www.osti.gov/servlets/purl/1335453.
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@article{osti_1335453,
title = {Structural transitions in Pb(In1/2Nb1/2)O3 under pressure},
author = {Ahart, Muhtar and Somayazulu, Maddury and Kojima, Seiji and Yasuda, Naohiko and Prosandeev, Sergey and Hemley, Russell J.},
abstractNote = {Here, Raman scattering, x-ray diffraction, and first-principles calculations were employed to investigate the behavior of disordered Pb(In1/2Nb1/2)O3 (PIN) under pressure up to 50 GPa. The experiments were performed at room temperature while ab-initio calculations were carried out at 0 K. Raman spectra for disordered PIN show broad bands but a peak near the 380 cm-1 increases its intensity with pressure. The linewidth of the band at 550 cm-1 also increases with pressure, while two of the Raman peaks merge above 6 GPa. Above 16 GPa, we observe additional splitting of the band at 50 cm-1. The pressure evolution of the diffraction patterns for PIN shows obvious splitting for Bragg peaks above 16 GPa; the results indicate a possible lowering symmetry transition. We identified that the transition at 0.5 GPa is from pseudo-cubic to orthorhombic (Pbam), the transitions at 16 GPa are isostructure transitions due to changes in linear compressibility and octahedral titling, and the transition at 30 GPa is from orthorhombic to monoclinic. First-principles calculations results indicated that ground state is Pbam with antiferrodisdortion consistent with experiment.},
doi = {10.1142/S2010135X15500332},
journal = {Journal of Advanced Dielectrics},
number = 04,
volume = 05,
place = {United States},
year = {Tue Dec 01 00:00:00 EST 2015},
month = {Tue Dec 01 00:00:00 EST 2015}
}
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Works referenced in this record:

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

Piezoelectric instability in 〈011〉-oriented Pb(B1/3IB2/3II)O3–PbTiO3 crystals
journal, August 2001

  • Viehland, D.; Amin, A.; Li, J. F.
  • Applied Physics Letters, Vol. 79, Issue 7
  • DOI: 10.1063/1.1392307

Cation ordering in complex oxides
journal, October 1999

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

Monoclinic and triclinic phases in higher-order Devonshire theory
journal, January 2001

Phase diagram of the ferroelectric relaxor ( 1 − x ) PbMg 1 / 3 Nb 2 / 3 O 3 − x PbTiO 3
journal, August 2002

Effect of high pressure on the Pb ( Mg 1 ∕ 3 Nb 2 ∕ 3 ) O 3 − Pb Ti O 3 solid solution: A Raman scattering investigation
journal, October 2004

Origin of morphotropic phase boundaries in ferroelectrics
journal, January 2008

  • Ahart, Muhtar; Somayazulu, Maddury; Cohen, R. E.
  • Nature, Vol. 451, Issue 7178
  • DOI: 10.1038/nature06459

Order and disorder in the relaxor ferroelectric perovskite (PSN): comparison with simple perovskites and
journal, September 1997

The influence of B-site cation order on the phase transition behaviour of antiferroelectric lead indium niobate
journal, September 1986

Phase transition in a relaxor, Pb(In 1 / 2 Nb 1 / 2 )O 3
journal, October 1998

Phase transitions in PbNb 0.5 B 0.5 O 3 (B-Sc, In)
journal, December 1983

Dielectric spectra and Vogel-Fulcher scaling in Pb(In 0.5 Nb 0.5 )O 3 relaxor ferroelectric
journal, January 1999

  • Bokov, A. A.; Leshchenko, M. A.; Malitskaya, M. A.
  • Journal of Physics: Condensed Matter, Vol. 11, Issue 25
  • DOI: 10.1088/0953-8984/11/25/309

Phase transition behaviour in lead scandium tantalate
journal, December 1987

Pressure-Induced Suppression of the Diffuse Scattering in the Model Relaxor Ferroelectric P b M g 1 / 3 N b 2 / 3 O 3
journal, June 2003

High-pressure x-ray scattering of oxides with a nanoscale local structure: Application to Na 1 / 2 Bi 1 / 2 TiO 3
journal, July 2003

High-pressure phases in highly piezoelectric PbZr 0.52 Ti 0.48 O 3
journal, January 2004

High-pressure Raman scattering and x-ray diffraction of the relaxor ferroelectric 0.96 Pb ( Zn 1 ∕ 3 Nb 2 ∕ 3 ) O 3 − 0.04 PbTiO 3
journal, April 2005

Pressure effects on relaxor ferroelectricity in disordered Pb(Sc1/2Nb1/2)O3
journal, April 2010

  • Ahart, Muhtar; Mao, Ho-kwang; Cohen, R. E.
  • Journal of Applied Physics, Vol. 107, Issue 7
  • DOI: 10.1063/1.3369278

Successive Pressure-Induced Structural Transitions in Relaxor Lead Indium Niobate
journal, July 2014

Energy dispersive x-ray diffraction of charge density waves via chemical filtering
journal, June 2005

  • Feng, Yejun; Somayazulu, M. S.; Jaramillo, R.
  • Review of Scientific Instruments, Vol. 76, Issue 6
  • DOI: 10.1063/1.1938954

Raman spectroscopy of metals, high-temperature superconductors and related materials under high pressure
journal, January 2003

  • Goncharov, Alexander F.; Struzhkin, Viktor V.
  • Journal of Raman Spectroscopy, Vol. 34, Issue 7-8
  • DOI: 10.1002/jrs.1030

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Short-range ordering in PbMg 1/3 Nb 2/3 O 3
journal, November 1979

  • Krause, H. B.; Cowley, J. M.; Wheatley, J.
  • Acta Crystallographica Section A, Vol. 35, Issue 6
  • DOI: 10.1107/S0567739479002230

High pressure Raman spectroscopic study on the relaxor ferroelectric PbSc 0.5 Nb 0.5 O 3
journal, May 2009

Raman-Scattering Selection-Rule Breaking and the Density of States in Amorphous Materials
journal, July 1970

Pressure dependence of the monoclinic phase in ( 1 − x ) Pb(Mg 1 / 3 Nb 2 / 3 )O 3 - x PbTiO 3 solid solutions
journal, December 2012

Origin of diffuse scattering in relaxor ferroelectrics
journal, April 2010

Désordre linéaire dans les cristaux (cas du silicium, du quartz, et des pérovskites ferroélectriques)
journal, March 1970

EXPGUI , a graphical user interface for GSAS
journal, April 2001

Shock wave equation of state and finite strain theory
journal, January 1989

Novel Nanoscale Twinned Phases in Perovskite Oxides
journal, August 2012

  • Prosandeev, Sergey; Wang, Dawei; Ren, Wei
  • Advanced Functional Materials, Vol. 23, Issue 2
  • DOI: 10.1002/adfm.201201467

Correlations between nanoscale chemical and polar order in relaxor ferroelectrics and the lengthscale for polar nanoregions
journal, August 2005

Effect of high pressure on relaxor ferroelectrics
journal, April 2002

The relaxational properties of compositionally disordered ABO 3 perovskites
journal, February 2003

Self-Accommodation of Ionic Size-Effect Atomic Displacements in Antiferroelectric Order in Relaxor Lead Scandium Niobate
journal, May 1999

General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting
journal, July 2005

Ferroelectricity of Perovskites under Pressure
journal, October 2005

The nature of ferroelectricity under pressure
journal, April 2007

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

Important Generalization Concerning the Role of Competing Forces in Displacive Phase Transitions
journal, December 1975

Soft Mode Dynamics above and below the Burns Temperature in the Relaxor Pb(Mg1/3Nb2/3)O3
text, January 2001

Origin of Diffuse Scattering in Relaxor Ferroelectrics
text, January 2009

Pressure dependence of the monoclinic phase in (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 solid solutions
text, January 2012

Monoclinic and triclinic phases in higher-order Devonshire theory
text, January 2000

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    Works referencing / citing this record:

    Pressure-induced transformations of multiferroic relaxor PbFe 0.5 Nb 0.5 O 3
    journal, February 2018

    • Basu, Abhisek; Ahart, Muhtar; Holtgrewe, Nicholas
    • Journal of Applied Physics, Vol. 123, Issue 8
    • DOI: 10.1063/1.5019485
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