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Li self-diffusion in lithium niobate single crystals at low temperatures
1Institut für Metallurgie, Thermochemie und Mikrokinetik, Technische Universität Clausthal, Clausthal-Zellerfeld, Germany.
Physical Chemistry Chemical Physics : PCCP
|January 17, 2012
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.
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.
