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Local structure and defects in ion irradiated KTaO3.

F X Zhang1, J Xi2, Y Zhang1,2

  • 1Division of Materials Science and Technology, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|February 23, 2018
PubMed
Summary

Investigating cubic perovskite KTaO3 irradiated with gold ions reveals structural modifications. Displacement cascades create Ta antisite defects coupled with oxygen vacancies, while high-energy ions induce electronic structure changes.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Ion Beam Modification

Background:

  • Cubic perovskite Potassium Tantalate (KTaO3) is a material with significant dielectric properties.
  • Understanding structural modifications under ion irradiation is crucial for its applications in electronics and radiation environments.

Purpose of the Study:

  • To investigate the local structural modifications in KTaO3 induced by different energies of Au ion irradiation.
  • To elucidate the defect formation mechanisms and their evolution under irradiation.

Main Methods:

  • Raman Spectroscopy
  • X-ray Absorption Spectroscopy (XAS) at Ta L3-edge
  • Extended X-ray Absorption Fine Structure (EXAFS)
  • Density Functional Theory (DFT) calculations

Main Results:

  • Irradiation with 3 MeV Au ions, dominated by displacement cascades, leads to the splitting of Ta-O bonds in TaO6 octahedra, indicating the formation of Ta antisite defects (TaK) coupled with oxygen vacancies (VO).
  • High-energy (1.1 GeV) Au ion irradiation, characterized by intense ionization, causes a blue shift and intensity reduction in Raman spectra.
  • Sequential irradiation shows a decrease in the concentration of coupled TaK-VO defects upon subsequent 1.1 GeV Au ion irradiation.

Conclusions:

  • The study identifies distinct defect structures formed by different irradiation regimes in KTaO3.
  • The findings highlight the interplay between displacement damage and electronic excitation in modifying perovskite structures.