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Raimundas Sereika1, Sooran Kim2, Takeshi Nakagawa3

  • 1Center for High Pressure Science and Technology Advanced Research, Beijing 100094, China. yang.ding@hpstar.ac.cn and Vytautas Magnus University, K. Donelaičio Str. 58, Kaunas 44248, Lithuania. raimundas.sereika@vdu.lt.

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Vanadium trifluoride (VF3) octahedra exhibit significant structural changes under pressure, leading to amorphization. This pressure-induced amorphization results in a quenchable, glass-like state in VF3 materials.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • VF3-type compounds are of significant interest due to their octahedra building blocks, crucial in perovskite structures.
  • Understanding the pressure-induced behavior of these octahedra is key to exploring new material properties.

Purpose of the Study:

  • To investigate the structural response of the VF6 octahedron in VF3 under high pressure (0-50 GPa).
  • To elucidate the mechanism of pressure-induced amorphization in VF3 and its potential for creating amorphous materials.

Main Methods:

  • High-pressure experiments were conducted on VF3 up to 50 GPa.
  • Phonon dispersion curves were analyzed to identify structural instabilities.
  • Structural changes and amorphization were characterized through observation of octahedra behavior.

Main Results:

  • The VF6 octahedron in VF3 maintains rhombohedral symmetry across a wide pressure range.
  • At approximately 25 GPa, VF6 octahedra undergo facile rotation, followed by uniaxial deformation at higher pressures.
  • Congested sphere packing leads to amorphization, resulting in a transparent, glass-like state upon unloading.

Conclusions:

  • Pressure-induced structural instability, indicated by a phonon soft mode, drives the amorphization of VF3.
  • The observed amorphization mechanism in VF3 suggests potential for creating diverse amorphous metal trifluorides within the VF3-type series.