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Phase transitions in KIO(3).

Lkhamsuren Bayarjargal1, Leonore Wiehl, Alexandra Friedrich

  • 1Institut für Geowissenschaften, Universität Frankfurt, Altenhöferallee 1, 60438 Frankfurt am Main, Germany. Bayarjargal@kristall.uni-frankfurt.de

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|July 13, 2012
PubMed
Summary
This summary is machine-generated.

High-pressure studies reveal KIO(3) undergoes two structural phase transitions. These transitions, confirmed by X-ray diffraction and Raman spectroscopy, result in acentric high-pressure phases, with transition pressures sensitive to shear stress.

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Area of Science:

  • Solid State Chemistry
  • Materials Science under Extreme Conditions
  • Crystallography

Background:

  • Potassium iodate (KIO3) exhibits complex phase behavior under varying conditions.
  • Understanding its high-pressure structural transformations is crucial for materials science applications.

Purpose of the Study:

  • To investigate the high-pressure structural behavior of KIO3 up to 30 GPa.
  • To characterize the new high-pressure phases and their properties.
  • To elucidate the influence of shear stress on phase transition pressures.

Main Methods:

  • Single crystal and powder X-ray diffraction
  • Raman spectroscopy
  • Second harmonic generation (SHG) experiments
  • Density functional theory (DFT)-based calculations
  • Low-temperature heat capacity measurements

Main Results:

  • Two pressure-induced structural phase transitions observed at 7 GPa and 14 GPa.
  • The first high-pressure phase (space group R3) was solved, with an experimental bulk modulus of 67(3) GPa.
  • DFT calculations provided comparable bulk modulus values.
  • SHG signals confirmed the acentric nature of high-pressure phases.
  • Transition pressures were found to be highly sensitive to shear stress.

Conclusions:

  • KIO3 undergoes significant structural changes under high pressure, forming acentric phases.
  • Shear stress plays a critical role in the observed pressure-induced transitions.
  • The study provides a comprehensive understanding of KIO3's high-pressure phase diagram and properties.