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Title: Structural transitions in Pb(In1/2Nb1/2)O 3 under pressure

Room-temperature Raman scattering and x-ray diffraction measurements together with first-principles calculations were employed to investigate the behavior of disordered Pb(In1/2Nb1/2)O3 (PIN) under pressure up to 50GPa. Raman spectra show broad bands but a peak near the 380cm-1 increases its intensity with pressure. The linewidth of the band at 550cm-1 also increases with pressure, while two of the Raman peaks merge above 6GPa. Above 16GPa, we observe additional splitting of the band at 50cm-1. The pressure evolution of the diffraction patterns for PIN shows obvious Bragg peaks splitting above 16GPa; consistent with a symmetry lowering transition. The transition at 0.5GPa is identified as a pseudo-cubic to orthorhombic (Pbam) structural change whereas the transition at 16GPa is isostructure and associated with changes in linear compressibility and octahedral titling, and the transition at 30GPa is associated to an orthorhombic to monoclinic change. First-principles calculations indicate that the Pbam structure is ground state with antiferrodisdortion consistent with experiment.
 [1] ;  [1] ;  [2] ;  [2] ;  [3] ;  [1]
  1. Carnegie Inst. of Washington, Washington, DC (United States)
  2. Gifu Univ. (Japan)
  3. Univ. of Arkansas, Fayetteville, AR (United States). Inst. for Nanoscience and Engineering
Publication Date:
OSTI Identifier:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Advanced Dielectrics; Journal Volume: 05; Journal Issue: 04
World Scientific
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 73 NUCLEAR PHYSICS AND RADIATION PHYSICS relaxor ferroelectrics; high-pressure; structural phase transition