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Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...

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Li self-diffusion in lithium niobate single crystals at low temperatures.

J Rahn1, E Hüger, L Dörrer

  • 1Institut für Metallurgie, Thermochemie und Mikrokinetik, Technische Universität Clausthal, Clausthal-Zellerfeld, Germany.

Physical Chemistry Chemical Physics : PCCP
|January 17, 2012
PubMed
Summary

Lithium self-diffusion in Li(2)O-deficient lithium niobate (LiNbO3) single crystals was measured. The study found diffusion follows Arrhenius law, consistent with single lithium vacancy migration.

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Area of Science:

  • Solid-state ionics
  • Materials science
  • Crystal physics

Background:

  • Lithium niobate (LiNbO3) is a crucial material in optoelectronics.
  • Understanding Li self-diffusion is vital for device performance and stability.
  • Li(2)O-deficient LiNbO3 exhibits unique defect properties.

Purpose of the Study:

  • To quantify Li self-diffusion coefficients in Li(2)O-deficient LiNbO3 single crystals.
  • To determine the activation enthalpy for Li diffusion.
  • To compare experimental diffusion data with theoretical calculations and impedance spectroscopy results.

Main Methods:

  • Secondary ion mass spectrometry (SIMS) using an isotopically enriched (6)LiNbO3 tracer.
  • Temperature range: 423–773 K (150–500 °C).
  • Impedance spectroscopy for charge diffusivity measurements.

Main Results:

  • Li self-diffusivities follow the Arrhenius law.
  • Activation enthalpy for diffusion is (1.33 ± 0.03) eV.
  • Tracer diffusivities match charge diffusivities within experimental error.
  • No evidence of defect-complex formation at lower temperatures.

Conclusions:

  • The measured diffusion behavior is consistent with the migration of single lithium vacancies.
  • Experimental results align well with ab initio calculations of migration energy.
  • The study confirms the dominant role of single vacancies in Li transport in this material.