Journal Article PUBDB-2025-04750

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Structural transformations in the (1−$x$)Na$_{0.5}$Bi$_{0.5}$TiO$_3$− $x$BaTiO$_3$ solid solution under high pressure: Comparison between x below and above the morphotropic phase boundary

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2025
Inst. Woodbury, NY

Physical review / B 112(18), 184102 () [10.1103/p74j-3j8p]
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Abstract: Single crystals of (1-$x$)Na$_{0.5}$Bi$_{0.5}$TiO$_3$-$x$BaTiO$_3$ (NBT-$x$BT) with a composition below ($x=0.013$) and above ($x=0.074$) the morphotropic phase boundary (MPB) were studied by $in situ$ high-pressure x-ray diffraction with synchrotron radiation and Raman spectroscopy. We show that both compounds undergo a reversible pressure-induced phase transition to structures with $Pnma$ symmetry, regardless of their symmetry at ambient conditions. The high-pressure phase resembles that recently reported for $x_{\rm{MPB}}=0.048$, as the critical pressure $p_{\rm c}$ gradually increases with $x$. However, the pathway of developing the high-pressure phase varies with the composition, revealing distinct ways of Ba incorporation into the NBT matrix for the pseudorhombohedral ($x=0.013$) and tetragonal ($x=0.074$) phases. For $x$<$x_{\rm{MPB}}$ the Ba$^{2+}$ cations are preferentially accommodated in the tetragonal-type nanodomains existing in the dominant pseudorhombohedral NBT matrix, whereas for $x>x_{\rm{MPB}}$ Ba$^{2+}$ is dispersed in both the rhombohedral nanodomains and the dominant tetragonal matrix. Furthermore, for $x=0.074$ there are incommensurate structural modulations at ambient pressure, which up to $p_c$ remain unaffected by pressure, but vanish above $p_c$.

Classification:

Contributing Institute(s):
  1. Uni Hamburg (U HH)
  2. DOOR-User (DOOR ; HAS-User)
  3. Universität Bayreuth (UBT)
Research Program(s):
  1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  2. FS-Proposal: I-20220769 (I-20220769) (I-20220769)
Experiment(s):
  1. PETRA Beamline P24 (PETRA III)
  2. PETRA Beamline P02.2 (PETRA III)

Appears in the scientific report 2025
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 Record created 2025-11-08, last modified 2025-11-19