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<p>The ferroelectric oxide LaTaO<sub>4</sub>, with a layered perovskite-related structure, exhibits a reversible temperature-dependent phase transition between its low-temperature paraelectric and high-temperature ferroelectric states. Herein, using in situ three-dimensional electron diffraction (3D ED) with atomic-resolution, we resolve the structural evolution of LaTaO<sub>4</sub> nanocrystals across four distinct phases during sequential heating treatment (300-500 K). Beyond ab initio structure determination of the known monoclinic (m-LaTaO<sub>4</sub>) and orthorhombic (o-LaTaO<sub>4</sub>) phases, we unravel: (i) a, previously undetected, intermediate phase (m’-LaTaO<sub>4</sub>) with a shorter <i>c</i>-axis transiently stabilised at around 372 K, arising from tilting of TaO<sub>6</sub> octahedra; (ii) an incommensurately modulated phase (IC-o-LaTaO<sub>4</sub>) with a modulation vector <i>q</i> ≈ (0.4669, 0, 0) through a combination of 3D ED and high-resolution electron microscopy imaging. The real-time tracking reveals three first-order phase transitions governed by synergetic Ta-O bond distortion dynamics. These findings establish a hierarchical phase transition model that reconciles previous studies and these single nanocrystal observations.</p>

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In situ electron diffraction tomography study of the successive phase transitions in LaTaO4 nanocrystals

  • 期刊论文

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  • 发表日期：

    2026年4月11日

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  • Shitao Wu,
  • Changhan Peng,
  • Wuzong Zhou,
  • Finlay D. Morrison,
  • Grant W. Howieson,
  • Yanhang Ma

摘要

The ferroelectric oxide LaTaO4, with a layered perovskite-related structure, exhibits a reversible temperature-dependent phase transition between its low-temperature paraelectric and high-temperature ferroelectric states. Herein, using in situ three-dimensional electron diffraction (3D ED) with atomic-resolution, we resolve the structural evolution of LaTaO4 nanocrystals across four distinct phases during sequential heating treatment (300-500 K). Beyond ab initio structure determination of the known monoclinic (m-LaTaO4) and orthorhombic (o-LaTaO4) phases, we unravel: (i) a, previously undetected, intermediate phase (m’-LaTaO4) with a shorter c-axis transiently stabilised at around 372 K, arising from tilting of TaO6 octahedra; (ii) an incommensurately modulated phase (IC-o-LaTaO4) with a modulation vector q ≈ (0.4669, 0, 0) through a combination of 3D ED and high-resolution electron microscopy imaging. The real-time tracking reveals three first-order phase transitions governed by synergetic Ta-O bond distortion dynamics. These findings establish a hierarchical phase transition model that reconciles previous studies and these single nanocrystal observations.