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Title: Structural transitions in Pb(In 1/2Nb 1/2)O 3 under pressure

Here, Raman scattering, x-ray diffraction, and first-principles calculations were employed to investigate the behavior of disordered Pb(In 1/2Nb 1/2)O 3 (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]
  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:
Grant/Contract Number:
NA0002006
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
Research Org:
Carnegie Institution of Washington, Washington, D.C. (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; relaxor ferroelectrics; high-pressure; structural phase transition
OSTI Identifier:
1335453

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., Web. doi:10.1142/S2010135X15500332.
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. doi:10.1142/S2010135X15500332.
Ahart, Muhtar, Somayazulu, Maddury, Kojima, Seiji, Yasuda, Naohiko, Prosandeev, Sergey, and Hemley, Russell J. 2015. "Structural transitions in Pb(In1/2Nb1/2)O3 under pressure". United States. doi:10.1142/S2010135X15500332. https://www.osti.gov/servlets/purl/1335453.
@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 = {2015},
month = {12}
}